methyl 3-(1-oxidanylidene-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl 3-(1-oxidanylidene-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl 2-(benzyloxycarbonylamino)-3-(6-benzyloxy-1-oxo-3,4-dihydroisoquinolin-2-yl)propanoate CAS Name: 3-(1-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl 3-(1-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 3-(6-benzoxy-1-keto-3,4-dihydroisoquinolin-2-yl)-2-(benzyloxycarbonylamino)propionic acid methyl ester Formula: C28H28N2O6 MolecularWeight: 488.53172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CN1CCC2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C(CN1CCC2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H28N2O6/c1-34-27(32)25(29-28(33)36-19-21-10-6-3-7-11-21)17-30-15-14-22-16-23(12-13-24(22)26(30)31)35-18-20-8-4-2-5-9-20/h2-13,16,25H,14-15,17-19H2,1H3,(H,29,33)