[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl] 2-benzoyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-benzoyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl] 2-benzoyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-benzoyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H26N2O4/c1-18-9-8-10-19(2)25(18)28-24(30)17-33-27(32)23-15-21-13-6-7-14-22(21)16-29(23)26(31)20-11-4-3-5-12-20/h3-14,23H,15-17H2,1-2H3,(H,28,30)