3-[1-[(phenylmethyl)carbamoyl]-1H-isoquinolin-2-yl]propanoic acid

Systemtic Name: 3-[1-[(phenylmethyl)carbamoyl]-1H-isoquinolin-2-yl]propanoic acid Openeye Name: 3-[1-(benzylcarbamoyl)-1H-isoquinolin-2-yl]propanoic acid CAS Name: 3-[1-[oxo-[(phenylmethyl)amino]methyl]-1H-isoquinolin-2-yl]propanoic acid IUPAC Name: 3-[1-(benzylcarbamoyl)-1H-isoquinolin-2-yl]propanoic acid Traditional Name: 3-[1-(benzylcarbamoyl)-1H-isoquinolin-2-yl]propionic acid Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2C3=CC=CC=C3C=CN2CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2C3=CC=CC=C3C=CN2CCC(=O)O

InChI

InChI=1S/C20H20N2O3/c23-18(24)11-13-22-12-10-16-8-4-5-9-17(16)19(22)20(25)21-14-15-6-2-1-3-7-15/h1-10,12,19H,11,13-14H2,(H,21,25)(H,23,24)