2-[2-[(4-ethylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid

Systemtic Name: 2-[2-[(4-ethylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid Openeye Name: 2-[2-[(4-ethylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid CAS Name: 2-[2-[(4-ethylanilino)-oxomethyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid IUPAC Name: 2-[2-[(4-ethylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Traditional Name: 2-[2-[(4-ethylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Formula: C20H22N2O3 MolecularWeight: 338.40028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)N2CCC3=CC=CC=C3C2CC(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)N2CCC3=CC=CC=C3C2CC(=O)O

InChI

InChI=1S/C20H22N2O3/c1-2-14-7-9-16(10-8-14)21-20(25)22-12-11-15-5-3-4-6-17(15)18(22)13-19(23)24/h3-10,18H,2,11-13H2,1H3,(H,21,25)(H,23,24)