[1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-ethanoyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-ethanoyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [2-(3-chloroanilino)-1-methyl-2-oxo-ethyl] 2-acetyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-acetyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [1-(3-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloroanilino)-1-oxopropan-2-yl] 2-acetyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-acetyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-(3-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Cl)OC(=O)C2CC3=CC=CC=C3CN2C(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)Cl)OC(=O)C2CC3=CC=CC=C3CN2C(=O)C

InChI

InChI=1S/C21H21ClN2O4/c1-13(20(26)23-18-9-5-8-17(22)11-18)28-21(27)19-10-15-6-3-4-7-16(15)12-24(19)14(2)25/h3-9,11,13,19H,10,12H2,1-2H3,(H,23,26)