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

Systemtic Name: [2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxylate Openeye Name: [2-(4-ethoxyanilino)-2-oxo-ethyl] 2-benzoyl-3,4-dihydro-1H-isoquinoline-4-carboxylate CAS Name: 2-benzoyl-3,4-dihydro-1H-isoquinoline-4-carboxylic acid [2-(4-ethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxyanilino)-2-oxoethyl] 2-benzoyl-3,4-dihydro-1H-isoquinoline-4-carboxylate Traditional Name: 2-benzoyl-3,4-dihydro-1H-isoquinoline-4-carboxylic acid [2-keto-2-(p-phenetidino)ethyl] ester Formula: C27H26N2O5 MolecularWeight: 458.50574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)COC(=O)C2CN(CC3=CC=CC=C23)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)COC(=O)C2CN(CC3=CC=CC=C23)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H26N2O5/c1-2-33-22-14-12-21(13-15-22)28-25(30)18-34-27(32)24-17-29(16-20-10-6-7-11-23(20)24)26(31)19-8-4-3-5-9-19/h3-15,24H,2,16-18H2,1H3,(H,28,30)