[2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoate Openeye Name: [2-(4-methylanilino)-2-oxo-1-phenyl-ethyl] 2-(2-acetyl-1H-isoquinolin-1-yl)acetate CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid [2-(4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(2-acetyl-1H-isoquinolin-1-yl)acetate Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid [2-keto-1-phenyl-2-(p-toluidino)ethyl] ester Formula: C28H26N2O4 MolecularWeight: 454.51704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)CC3C4=CC=CC=C4C=CN3C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)CC3C4=CC=CC=C4C=CN3C(=O)C

InChI

InChI=1S/C28H26N2O4/c1-19-12-14-23(15-13-19)29-28(33)27(22-9-4-3-5-10-22)34-26(32)18-25-24-11-7-6-8-21(24)16-17-30(25)20(2)31/h3-17,25,27H,18H2,1-2H3,(H,29,33)