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

Systemtic Name: methyl 4-[2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoylamino]-3-methyl-benzoate Openeye Name: methyl 4-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-3-methyl-benzoate CAS Name: 4-[[2-(2-acetyl-1H-isoquinolin-1-yl)-1-oxoethyl]amino]-3-methylbenzoic acid methyl ester IUPAC Name: methyl 4-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-3-methylbenzoate Traditional Name: 4-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-3-methyl-benzoic acid methyl ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C

InChI

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