
 BDBM85395

 68 74  0  0  0  0  0  0  0  0999 V2000
    4.2093    0.1177    1.6882 C   0  0  0  0  0
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    4.2225    0.7790    2.5605 H   0  0  0  0  0
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    4.2104    5.7701   -3.0007 H   0  0  0  0  0
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M  END

>  <Chemical Name>
BDBM85395

>  <PubChem CID>
57340107

>  <Formula>
C30H31ClN2O4

>  <Molecular Weight>
519.038000

>  <IUPAC Name>
(Z)-N-[(7aR)-3-(cyclopropylmethyl)-9-methoxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a-yl]-3-(4-chlorophenyl)prop-2-enamide

>  <XlogP>
5.000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=C2C3=C(CC4C5(C3(CCN4CC6CC6)C(O2)C(=O)CC5)NC(=O)C=CC7=CC=C(C=C7)Cl)C=C1

>  <Isomeric SMILES>
COC1=C2C3=C(CC4C5(C3(CCN4CC6CC6)[C@@H](O2)C(=O)CC5)NC(=O)/C=C\C7=CC=C(C=C7)Cl)C=C1

>  <InChI Std. ID>
InChI=1S/C30H31ClN2O4/c1-36-23-10-7-20-16-24-30(32-25(35)11-6-18-4-8-21(31)9-5-18)13-12-22(34)28-29(30,26(20)27(23)37-28)14-15-33(24)17-19-2-3-19/h4-11,19,24,28H,2-3,12-17H2,1H3,(H,32,35)/b11-6-/t24?,28-,29?,30?/m0/s1

>  <InChI Key>
LZSMGMMAKBCSRL-IWRUZLQFSA-N

