tert-butyl 3-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]-4-[2-oxidanylidene-3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]cyclohexane-1-carboxylate

Systemtic Name: tert-butyl 3-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]-4-[2-oxidanylidene-3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]cyclohexane-1-carboxylate Openeye Name: tert-butyl 4-[3-(benzyloxycarbonylamino)-2-oxo-pyrrolidin-1-yl]-3-[(E)-3-ethoxy-3-oxo-prop-1-enyl]cyclohexanecarboxylate CAS Name: 3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-4-[2-oxo-3-(phenylmethoxycarbonylamino)-1-pyrrolidinyl]-1-cyclohexanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-4-[2-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]cyclohexane-1-carboxylate Traditional Name: 4-[3-(benzyloxycarbonylamino)-2-keto-pyrrolidino]-3-[(E)-3-ethoxy-3-keto-prop-1-enyl]cyclohexanecarboxylic acid tert-butyl ester Formula: C28H38N2O7 MolecularWeight: 514.61052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1CC(CCC1N2CCC(C2=O)NC(=O)OCC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)/C=C/C1CC(CCC1N2CCC(C2=O)NC(=O)OCC3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H38N2O7/c1-5-35-24(31)14-12-20-17-21(26(33)37-28(2,3)4)11-13-23(20)30-16-15-22(25(30)32)29-27(34)36-18-19-9-7-6-8-10-19/h6-10,12,14,20-23H,5,11,13,15-18H2,1-4H3,(H,29,34)/b14-12+