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

Systemtic Name: 2-[2-(phenethylcarbamoyl)-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid Openeye Name: 2-[2-(phenethylcarbamoyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid CAS Name: 2-[2-[oxo-(phenethylamino)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid IUPAC Name: 2-[2-(phenethylcarbamoyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Traditional Name: 2-[2-(phenethylcarbamoyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CC(=O)O)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CC(=O)O)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O3/c23-19(24)14-18-17-9-5-4-8-16(17)11-13-22(18)20(25)21-12-10-15-6-2-1-3-7-15/h1-9,18H,10-14H2,(H,21,25)(H,23,24)