[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (2R,3S)-1-(4-methoxyphenyl)-6-oxidanylidene-2-phenyl-piperidine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (2R,3S)-1-(4-methoxyphenyl)-6-oxidanylidene-2-phenyl-piperidine-3-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (2R,3S)-1-(4-methoxyphenyl)-6-oxo-2-phenyl-piperidine-3-carboxylate CAS Name: (2R,3S)-1-(4-methoxyphenyl)-6-oxo-2-phenyl-3-piperidinecarboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (2R,3S)-1-(4-methoxyphenyl)-6-oxo-2-phenylpiperidine-3-carboxylate Traditional Name: (2R,3S)-6-keto-1-(4-methoxyphenyl)-2-phenyl-nipecotic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C24H24N2O5 MolecularWeight: 420.45776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)OCC(=O)NCC#C)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)N2[C@H]([C@H](CCC2=O)C(=O)OCC(=O)NCC#C)C3=CC=CC=C3

InChI

InChI=1S/C24H24N2O5/c1-3-15-25-21(27)16-31-24(29)20-13-14-22(28)26(18-9-11-19(30-2)12-10-18)23(20)17-7-5-4-6-8-17/h1,4-12,20,23H,13-16H2,2H3,(H,25,27)/t20-,23-/m0/s1