[2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] 2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: [2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] 2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate Openeye Name: [2-(4-acetamidophenyl)-2-oxo-ethyl] 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetate CAS Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetic acid [2-(4-acetamidophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidophenyl)-2-oxoethyl] 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetic acid [2-(4-acetamidophenyl)-2-keto-ethyl] ester Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C[C@@H]2C3=CC=CC=C3C=CN2C(=O)C

InChI

InChI=1S/C23H22N2O5/c1-15(26)24-19-9-7-18(8-10-19)22(28)14-30-23(29)13-21-20-6-4-3-5-17(20)11-12-25(21)16(2)27/h3-12,21H,13-14H2,1-2H3,(H,24,26)/t21-/m1/s1