[1-[(4-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoate

Systemtic Name: [1-[(4-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoate Openeye Name: [2-(4-chloroanilino)-1-methyl-2-oxo-ethyl] 2-(2-acetyl-1H-isoquinolin-1-yl)acetate CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid [1-(4-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(2-acetyl-1H-isoquinolin-1-yl)acetate Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid [2-(4-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H21ClN2O4 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Cl)OC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Cl)OC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C

InChI

InChI=1S/C22H21ClN2O4/c1-14(22(28)24-18-9-7-17(23)8-10-18)29-21(27)13-20-19-6-4-3-5-16(19)11-12-25(20)15(2)26/h3-12,14,20H,13H2,1-2H3,(H,24,28)