5-chloranyl-1-cyano-3-(4-ethoxyphenyl)carbonyl-2-phenyl-3,12a-dihydro-2H-naphtho[2,1-e]indolizine-1-carboxylic acid

Systemtic Name: 5-chloranyl-1-cyano-3-(4-ethoxyphenyl)carbonyl-2-phenyl-3,12a-dihydro-2H-naphtho[2,1-e]indolizine-1-carboxylic acid Openeye Name: 5-chloro-1-cyano-3-(4-ethoxybenzoyl)-2-phenyl-3,12a-dihydro-2H-naphtho[2,1-e]indolizine-1-carboxylic acid CAS Name: 5-chloro-1-cyano-3-[(4-ethoxyphenyl)-oxomethyl]-2-phenyl-3,12a-dihydro-2H-naphtho[2,1-e]indolizine-1-carboxylic acid IUPAC Name: 5-chloro-1-cyano-3-(4-ethoxybenzoyl)-2-phenyl-3,12a-dihydro-2H-naphtho[2,1-e]indolizine-1-carboxylic acid Traditional Name: 5-chloro-1-cyano-3-(4-ethoxybenzoyl)-2-phenyl-3,12a-dihydro-2H-naphth[2,1-e]indolizine-1-carboxylic acid Formula: C33H25ClN2O4 MolecularWeight: 549.0156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C2C(C(C3N2C4=C(C=C3)C5=CC=CC=C5C=C4Cl)(C#N)C(=O)O)C6=CC=CC=C6

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C2C(C(C3N2C4=C(C=C3)C5=CC=CC=C5C=C4Cl)(C#N)C(=O)O)C6=CC=CC=C6

InChI

InChI=1S/C33H25ClN2O4/c1-2-40-23-14-12-21(13-15-23)31(37)30-28(20-8-4-3-5-9-20)33(19-35,32(38)39)27-17-16-25-24-11-7-6-10-22(24)18-26(34)29(25)36(27)30/h3-18,27-28,30H,2H2,1H3,(H,38,39)