2-[6,7-dimethoxy-2-[(3-methylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid

Systemtic Name: 2-[6,7-dimethoxy-2-[(3-methylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid Openeye Name: 2-[6,7-dimethoxy-2-(m-tolylcarbamoyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid CAS Name: 2-[6,7-dimethoxy-2-[(3-methylanilino)-oxomethyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid IUPAC Name: 2-[6,7-dimethoxy-2-[(3-methylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Traditional Name: 2-[6,7-dimethoxy-2-(m-tolylcarbamoyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Formula: C21H24N2O5 MolecularWeight: 384.42566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2CCC3=CC(=C(C=C3C2CC(=O)O)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2CCC3=CC(=C(C=C3C2CC(=O)O)OC)OC

InChI

InChI=1S/C21H24N2O5/c1-13-5-4-6-15(9-13)22-21(26)23-8-7-14-10-18(27-2)19(28-3)11-16(14)17(23)12-20(24)25/h4-6,9-11,17H,7-8,12H2,1-3H3,(H,22,26)(H,24,25)