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

Systemtic Name: [2-[methyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate Openeye Name: [2-(N-methylanilino)-2-oxo-ethyl] 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetate CAS Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetic acid [2-(N-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-methylanilino)-2-oxoethyl] 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetic acid [2-keto-2-(N-methylanilino)ethyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)OCC(=O)N(C)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2[C@@H]1CC(=O)OCC(=O)N(C)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O4/c1-16(25)24-13-12-17-8-6-7-11-19(17)20(24)14-22(27)28-15-21(26)23(2)18-9-4-3-5-10-18/h3-13,20H,14-15H2,1-2H3/t20-/m0/s1