methyl 3-[2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoylamino]-2-methyl-benzoate

Systemtic Name: methyl 3-[2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoylamino]-2-methyl-benzoate Openeye Name: methyl 3-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-2-methyl-benzoate CAS Name: 3-[[2-(2-acetyl-1H-isoquinolin-1-yl)-1-oxoethyl]amino]-2-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-2-methylbenzoate Traditional Name: 3-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-2-methyl-benzoic acid methyl ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C)C(=O)OC

InChI

InChI=1S/C22H22N2O4/c1-14-17(22(27)28-3)9-6-10-19(14)23-21(26)13-20-18-8-5-4-7-16(18)11-12-24(20)15(2)25/h4-12,20H,13H2,1-3H3,(H,23,26)