tert-butyl 2-[(3S,4S)-2-oxidanylidene-4-phenyl-3-(phenylmethoxycarbonylamino)piperidin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[(3S,4S)-2-oxidanylidene-4-phenyl-3-(phenylmethoxycarbonylamino)piperidin-1-yl]ethanoate Openeye Name: tert-butyl 2-[(3S,4S)-3-(benzyloxycarbonylamino)-2-oxo-4-phenyl-1-piperidyl]acetate CAS Name: 2-[(3S,4S)-2-oxo-4-phenyl-3-(phenylmethoxycarbonylamino)-1-piperidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3S,4S)-2-oxo-4-phenyl-3-(phenylmethoxycarbonylamino)piperidin-1-yl]acetate Traditional Name: 2-[(3S,4S)-3-(benzyloxycarbonylamino)-2-keto-4-phenyl-piperidino]acetic acid tert-butyl ester Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCC(C(C1=O)NC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CN1CC[C@H]([C@@H](C1=O)NC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H30N2O5/c1-25(2,3)32-21(28)16-27-15-14-20(19-12-8-5-9-13-19)22(23(27)29)26-24(30)31-17-18-10-6-4-7-11-18/h4-13,20,22H,14-17H2,1-3H3,(H,26,30)/t20-,22-/m0/s1