[(2S)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] (2R,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate

Systemtic Name: [(2S)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] (2R,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: [(1S)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] (2R,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxo-piperidine-3-carboxylate CAS Name: (2R,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxo-3-piperidinecarboxylic acid [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate Traditional Name: (2R,3S)-1-butyl-6-keto-2-(4-methoxyphenyl)nipecotic acid [(1S)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H32N2O5 MolecularWeight: 416.51058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(CCC1=O)C(=O)OC(C)C(=O)NC2CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1[C@H]([C@H](CCC1=O)C(=O)O[C@@H](C)C(=O)NC2CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H32N2O5/c1-4-5-14-25-20(26)13-12-19(21(25)16-6-10-18(29-3)11-7-16)23(28)30-15(2)22(27)24-17-8-9-17/h6-7,10-11,15,17,19,21H,4-5,8-9,12-14H2,1-3H3,(H,24,27)/t15-,19-,21-/m0/s1