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

Systemtic Name: methyl 2-azanyl-3-(1-oxidanylidene-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)propanoate Openeye Name: methyl 2-amino-3-(6-benzyloxy-1-oxo-3,4-dihydroisoquinolin-2-yl)propanoate CAS Name: 2-amino-3-(1-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)propanoic acid methyl ester IUPAC Name: methyl 2-amino-3-(1-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)propanoate Traditional Name: 2-amino-3-(6-benzoxy-1-keto-3,4-dihydroisoquinolin-2-yl)propionic acid methyl ester Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CN1CCC2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3)N

Isomeric SMILES

COC(=O)C(CN1CCC2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3)N

InChI

InChI=1S/C20H22N2O4/c1-25-20(24)18(21)12-22-10-9-15-11-16(7-8-17(15)19(22)23)26-13-14-5-3-2-4-6-14/h2-8,11,18H,9-10,12-13,21H2,1H3