tert-butyl 3-[6-(2-methoxy-2-oxidanylidene-ethoxy)-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: tert-butyl 3-[6-(2-methoxy-2-oxidanylidene-ethoxy)-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: tert-butyl 2-(benzyloxycarbonylamino)-3-[6-(2-methoxy-2-oxo-ethoxy)-1-oxo-3,4-dihydroisoquinolin-2-yl]propanoate CAS Name: 3-[6-(2-methoxy-2-oxoethoxy)-1-oxo-3,4-dihydroisoquinolin-2-yl]-2-(phenylmethoxycarbonylamino)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[6-(2-methoxy-2-oxoethoxy)-1-oxo-3,4-dihydroisoquinolin-2-yl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-[1-keto-6-(2-keto-2-methoxy-ethoxy)-3,4-dihydroisoquinolin-2-yl]propionic acid tert-butyl ester Formula: C27H32N2O8 MolecularWeight: 512.55158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O8/c1-27(2,3)37-25(32)22(28-26(33)36-16-18-8-6-5-7-9-18)15-29-13-12-19-14-20(35-17-23(30)34-4)10-11-21(19)24(29)31/h5-11,14,22H,12-13,15-17H2,1-4H3,(H,28,33)