methyl 3-(4-chlorophenyl)-3-[2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoylamino]propanoate

Systemtic Name: methyl 3-(4-chlorophenyl)-3-[2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoylamino]propanoate Openeye Name: methyl 3-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-3-(4-chlorophenyl)propanoate CAS Name: 3-[[2-(2-acetyl-1H-isoquinolin-1-yl)-1-oxoethyl]amino]-3-(4-chlorophenyl)propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-3-(4-chlorophenyl)propanoate Traditional Name: 3-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-3-(4-chlorophenyl)propionic acid methyl ester Formula: C23H23ClN2O4 MolecularWeight: 426.89272

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC(CC(=O)OC)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC(CC(=O)OC)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H23ClN2O4/c1-15(27)26-12-11-16-5-3-4-6-19(16)21(26)14-22(28)25-20(13-23(29)30-2)17-7-9-18(24)10-8-17/h3-12,20-21H,13-14H2,1-2H3,(H,25,28)