3-[6-(2-methoxy-2-oxidanylidene-ethoxy)-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[6-(2-methoxy-2-oxidanylidene-ethoxy)-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[6-(2-methoxy-2-oxo-ethoxy)-1-oxo-3,4-dihydroisoquinolin-2-yl]propanoic acid CAS Name: 3-[6-(2-methoxy-2-oxoethoxy)-1-oxo-3,4-dihydroisoquinolin-2-yl]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[6-(2-methoxy-2-oxoethoxy)-1-oxo-3,4-dihydroisoquinolin-2-yl]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[1-keto-6-(2-keto-2-methoxy-ethoxy)-3,4-dihydroisoquinolin-2-yl]propionic acid Formula: C23H24N2O8 MolecularWeight: 456.44526

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=CC2=C(C=C1)C(=O)N(CC2)CC(C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)COC1=CC2=C(C=C1)C(=O)N(CC2)CC(C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H24N2O8/c1-31-20(26)14-32-17-7-8-18-16(11-17)9-10-25(21(18)27)12-19(22(28)29)24-23(30)33-13-15-5-3-2-4-6-15/h2-8,11,19H,9-10,12-14H2,1H3,(H,24,30)(H,28,29)