[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2-(benzyloxycarbonylamino)-3-phenyl-propanoate CAS Name: 3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-phenyl-propionic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C28H28N2O5 MolecularWeight: 472.53232

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H28N2O5/c31-26(30-16-15-23-13-7-8-14-24(23)18-30)20-34-27(32)25(17-21-9-3-1-4-10-21)29-28(33)35-19-22-11-5-2-6-12-22/h1-14,25H,15-20H2,(H,29,33)