
 CID 15005336

 71 75  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CID 15005336

>  <PubChem CID>
15005336

>  <Formula>
C32H30ClN5O3

>  <Molecular Weight>
568.074000

>  <IUPAC Name>
ethyl 4-(2-chlorophenyl)-2-[4-(2,4-dimethylimidazol-1-yl)phenyl]-6-methyl-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)NC3=CC=CC=N3)C)C4=CC=C(C=C4)N5C=C(N=C5C)C

>  <Isomeric SMILES>
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)NC3=CC=CC=N3)C)C4=CC=C(C=C4)N5C=C(N=C5C)C

>  <InChI Std. ID>
InChI=1S/C32H30ClN5O3/c1-5-41-32(40)29-28(24-10-6-7-11-25(24)33)27(31(39)37-26-12-8-9-17-34-26)20(3)36-30(29)22-13-15-23(16-14-22)38-18-19(2)35-21(38)4/h6-18,28,36H,5H2,1-4H3,(H,34,37,39)

>  <InChI Key>
AEDSIDNRLSIRPU-UHFFFAOYSA-N

