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

Systemtic Name: tert-butyl 3-(1-oxidanylidene-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C31H34N2O6 MolecularWeight: 530.61146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H34N2O6/c1-31(2,3)39-29(35)27(32-30(36)38-21-23-12-8-5-9-13-23)19-33-17-16-24-18-25(14-15-26(24)28(33)34)37-20-22-10-6-4-7-11-22/h4-15,18,27H,16-17,19-21H2,1-3H3,(H,32,36)