methyl 2-chloranyl-5-[2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoylamino]benzoate

Systemtic Name: methyl 2-chloranyl-5-[2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoylamino]benzoate Openeye Name: methyl 5-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-2-chloro-benzoate CAS Name: 5-[[2-(2-acetyl-1H-isoquinolin-1-yl)-1-oxoethyl]amino]-2-chlorobenzoic acid methyl ester IUPAC Name: methyl 5-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-2-chlorobenzoate Traditional Name: 5-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-2-chloro-benzoic acid methyl ester Formula: C21H19ClN2O4 MolecularWeight: 398.83956

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C21H19ClN2O4/c1-13(25)24-10-9-14-5-3-4-6-16(14)19(24)12-20(26)23-15-7-8-18(22)17(11-15)21(27)28-2/h3-11,19H,12H2,1-2H3,(H,23,26)