3-(6-oxidanyl-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl)-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-(6-oxidanyl-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl)-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-(6-hydroxy-1-oxo-3,4-dihydroisoquinolin-2-yl)propanoic acid CAS Name: 3-(6-hydroxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-(6-hydroxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-(6-hydroxy-1-keto-3,4-dihydroisoquinolin-2-yl)propionic acid Formula: C20H20N2O6 MolecularWeight: 384.3826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=C1C=C(C=C2)O)CC(C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(C(=O)C2=C1C=C(C=C2)O)CC(C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O6/c23-15-6-7-16-14(10-15)8-9-22(18(16)24)11-17(19(25)26)21-20(27)28-12-13-4-2-1-3-5-13/h1-7,10,17,23H,8-9,11-12H2,(H,21,27)(H,25,26)