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

Systemtic Name: [1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-butan-2-yl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: 1-(indoline-1-carbonyl)propyl 2-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 2-methyl-1-oxo-4-phenyl-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] 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-phenyl-isoquinoline-3-carboxylic acid 1-(indoline-1-carbonyl)propyl ester Formula: C29H26N2O4 MolecularWeight: 466.52774

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C29H26N2O4/c1-3-24(28(33)31-18-17-19-11-7-10-16-23(19)31)35-29(34)26-25(20-12-5-4-6-13-20)21-14-8-9-15-22(21)27(32)30(26)2/h4-16,24H,3,17-18H2,1-2H3