
 SCHEMBL3309296

 50 53  0  0  0  0  0  0  0  0999 V2000
    5.7461   -0.1718   -1.0563 C   0  0  0  0  0
    5.7667   -1.6749   -0.8298 C   0  0  0  0  0
    4.4085   -2.1520   -0.3150 C   0  0  0  0  0
    3.2282   -1.6101   -1.0947 C   0  0  0  0  0
    1.9385   -2.1716   -0.9505 C   0  0  0  0  0
    0.8556   -1.6504   -1.6794 C   0  0  0  0  0
    1.0395   -0.5801   -2.5497 C   0  0  0  0  0
    2.3001   -0.0071   -2.6826 C   0  0  0  0  0
    3.3939   -0.4966   -1.9504 C   0  0  0  0  0
    4.7344    0.1745   -2.1431 C   0  0  0  0  0
    1.6567   -3.2692    0.0245 C   0  0  0  0  0
    2.2093   -3.3110    1.1164 O   0  0  0  0  0
    0.7352   -4.2141   -0.3894 N   0  0  0  0  0
    0.3830   -5.3730    0.4675 C   0  0  0  0  0
   -0.0978   -4.9336    1.8854 C   0  0  0  0  0
   -1.5373   -5.3457    1.9329 C   0  0  0  0  0
   -1.9221   -6.0285    0.7854 C   0  0  0  0  0
   -0.7956   -6.1655   -0.1868 C   0  0  0  0  0
   -3.2136   -6.5177    0.6466 C   0  0  0  0  0
   -4.1361   -6.2947    1.6789 C   0  0  0  0  0
   -3.7406   -5.6045    2.8405 C   0  0  0  0  0
   -2.4331   -5.1254    2.9689 C   0  0  0  0  0
   -5.5138   -6.8305    1.5125 C   0  0  0  0  0
   -5.7584   -7.7512    0.7432 O   0  0  0  0  0
   -6.5157   -6.2270    2.2206 N   0  0  0  0  0
    1.5580   -6.3664    0.5746 C   0  0  0  0  0
    1.6603   -7.2927    1.3645 O   0  0  0  0  0
    2.4683   -6.2464   -0.4210 O   0  0  0  0  0
    6.7400    0.1835   -1.3503 H   0  0  0  0  0
    5.4846    0.3399   -0.1213 H   0  0  0  0  0
    6.5473   -1.9384   -0.1073 H   0  0  0  0  0
    6.0128   -2.1860   -1.7694 H   0  0  0  0  0
    4.3022   -1.8380    0.7305 H   0  0  0  0  0
    4.4068   -3.2479   -0.3470 H   0  0  0  0  0
   -0.1471   -2.0500   -1.5480 H   0  0  0  0  0
    0.1974   -0.1774   -3.1067 H   0  0  0  0  0
    2.4288    0.8395   -3.3549 H   0  0  0  0  0
    5.1305   -0.1302   -3.1199 H   0  0  0  0  0
    4.6043    1.2634   -2.1641 H   0  0  0  0  0
    0.6410   -4.3299   -1.3907 H   0  0  0  0  0
   -0.0492   -3.8500    2.0334 H   0  0  0  0  0
    0.4567   -5.4268    2.6904 H   0  0  0  0  0
   -1.0901   -5.7419   -1.1537 H   0  0  0  0  0
   -0.5639   -7.2276   -0.3268 H   0  0  0  0  0
   -3.5072   -7.0677   -0.2440 H   0  0  0  0  0
   -4.4298   -5.4611    3.6674 H   0  0  0  0  0
   -2.1235   -4.6019    3.8692 H   0  0  0  0  0
   -6.4025   -5.3350    2.6785 H   0  0  0  0  0
   -7.4571   -6.5412    2.0225 H   0  0  0  0  0
    3.1275   -6.9413   -0.2124 H   0  0  0  0  0
  1  2  1  0  0  0
  1 10  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  2 32  1  0  0  0
  3  4  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 11  1  0  0  0
  6  7  2  0  0  0
  6 35  1  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  8  9  2  0  0  0
  8 37  1  0  0  0
  9 10  1  0  0  0
 10 38  1  0  0  0
 10 39  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  1  0  0  0
 13 40  1  0  0  0
 14 18  1  0  0  0
 14 15  1  0  0  0
 14 26  1  0  0  0
 15 16  1  0  0  0
 15 41  1  0  0  0
 15 42  1  0  0  0
 16 17  2  0  0  0
 16 22  1  0  0  0
 17 19  1  0  0  0
 17 18  1  0  0  0
 18 43  1  0  0  0
 18 44  1  0  0  0
 19 20  2  0  0  0
 19 45  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  2  0  0  0
 21 46  1  0  0  0
 22 47  1  0  0  0
 23 25  1  0  0  0
 23 24  2  0  0  0
 25 48  1  0  0  0
 25 49  1  0  0  0
 26 28  1  0  0  0
 26 27  2  0  0  0
 28 50  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL3309296

>  <PubChem CID>
59314168

>  <Formula>
C22H22N2O4

>  <Molecular Weight>
378.428000

>  <IUPAC Name>
5-carbamoyl-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCC2=C(C=CC=C2C1)C(=O)NC3(CC4=C(C3)C=C(C=C4)C(=O)N)C(=O)O

>  <Isomeric SMILES>
C1CCC2=C(C=CC=C2C1)C(=O)NC3(CC4=C(C3)C=C(C=C4)C(=O)N)C(=O)O

>  <InChI Std. ID>
InChI=1S/C22H22N2O4/c23-19(25)14-8-9-15-11-22(21(27)28,12-16(15)10-14)24-20(26)18-7-3-5-13-4-1-2-6-17(13)18/h3,5,7-10H,1-2,4,6,11-12H2,(H2,23,25)(H,24,26)(H,27,28)

>  <InChI Key>
QVQHKJQFIIQHDQ-UHFFFAOYSA-N

