[1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-butan-2-yl] 4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: [1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-butan-2-yl] 4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: 1-(indoline-1-carbonyl)propyl 4-(4-chlorophenyl)-2-methyl-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-methyl-1-oxo-3-isoquinolinecarboxylic acid [1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl] 4-(4-chlorophenyl)-2-methyl-1-oxoisoquinoline-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-1-keto-2-methyl-isoquinoline-3-carboxylic acid 1-(indoline-1-carbonyl)propyl ester Formula: C29H25ClN2O4 MolecularWeight: 500.9728

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCC2=CC=CC=C21)OC(=O)C3=C(C4=CC=CC=C4C(=O)N3C)C5=CC=C(C=C5)Cl

Isomeric SMILES

CCC(C(=O)N1CCC2=CC=CC=C21)OC(=O)C3=C(C4=CC=CC=C4C(=O)N3C)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H25ClN2O4/c1-3-24(28(34)32-17-16-18-8-4-7-11-23(18)32)36-29(35)26-25(19-12-14-20(30)15-13-19)21-9-5-6-10-22(21)27(33)31(26)2/h4-15,24H,3,16-17H2,1-2H3