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

Systemtic Name: methyl 4-[2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(2-acetyl-1H-isoquinolin-1-yl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4/c1-14(24)23-12-11-15-5-3-4-6-18(15)19(23)13-20(25)22-17-9-7-16(8-10-17)21(26)27-2/h3-12,19H,13H2,1-2H3,(H,22,25)