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

Systemtic Name: 2-acetamido-3-(1-oxidanylidene-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)propanoic acid Openeye Name: 2-acetamido-3-(6-benzyloxy-1-oxo-3,4-dihydroisoquinolin-2-yl)propanoic acid CAS Name: 2-acetamido-3-(1-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)propanoic acid IUPAC Name: 2-acetamido-3-(1-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)propanoic acid Traditional Name: 2-acetamido-3-(6-benzoxy-1-keto-3,4-dihydroisoquinolin-2-yl)propionic acid Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CN1CCC2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(=O)NC(CN1CCC2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H22N2O5/c1-14(24)22-19(21(26)27)12-23-10-9-16-11-17(7-8-18(16)20(23)25)28-13-15-5-3-2-4-6-15/h2-8,11,19H,9-10,12-13H2,1H3,(H,22,24)(H,26,27)