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

Systemtic Name: methyl 2-acetamido-3-(1-oxidanylidene-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)propanoate Openeye Name: methyl 2-acetamido-3-(6-benzyloxy-1-oxo-3,4-dihydroisoquinolin-2-yl)propanoate CAS Name: 2-acetamido-3-(1-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)propanoic acid methyl ester IUPAC Name: methyl 2-acetamido-3-(1-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)propanoate Traditional Name: 2-acetamido-3-(6-benzoxy-1-keto-3,4-dihydroisoquinolin-2-yl)propionic acid methyl ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5/c1-15(25)23-20(22(27)28-2)13-24-11-10-17-12-18(8-9-19(17)21(24)26)29-14-16-6-4-3-5-7-16/h3-9,12,20H,10-11,13-14H2,1-2H3,(H,23,25)