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

Systemtic Name: methyl 3-[2-(2-ethanoyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoylamino]benzoate Openeye Name: methyl 3-[[2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)acetyl]amino]benzoate CAS Name: 3-[[2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)acetyl]amino]benzoate Traditional Name: 3-[[2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=CC=CC=C2C1CC(=O)NC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC(=O)N1CCC2=CC=CC=C2C1CC(=O)NC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C21H22N2O4/c1-14(24)23-11-10-15-6-3-4-9-18(15)19(23)13-20(25)22-17-8-5-7-16(12-17)21(26)27-2/h3-9,12,19H,10-11,13H2,1-2H3,(H,22,25)