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

Systemtic Name: 3-(1-oxidanylidene-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-(6-benzyloxy-1-oxo-3,4-dihydroisoquinolin-2-yl)propanoic acid CAS Name: 3-(1-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-(1-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 3-(6-benzoxy-1-keto-3,4-dihydroisoquinolin-2-yl)-2-(benzyloxycarbonylamino)propionic acid Formula: C27H26N2O6 MolecularWeight: 474.50514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=C1C=C(C=C2)OCC3=CC=CC=C3)CC(C(=O)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(C(=O)C2=C1C=C(C=C2)OCC3=CC=CC=C3)CC(C(=O)O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O6/c30-25-23-12-11-22(34-17-19-7-3-1-4-8-19)15-21(23)13-14-29(25)16-24(26(31)32)28-27(33)35-18-20-9-5-2-6-10-20/h1-12,15,24H,13-14,16-18H2,(H,28,33)(H,31,32)