[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2R,3R)-1-butyl-2-(4-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2R,3R)-1-butyl-2-(4-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] (2R,3R)-1-butyl-2-(4-methoxyphenyl)-6-oxo-piperidine-3-carboxylate CAS Name: (2R,3R)-1-butyl-2-(4-methoxyphenyl)-6-oxo-3-piperidinecarboxylic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] (2R,3R)-1-butyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate Traditional Name: (2R,3R)-1-butyl-6-keto-2-(4-methoxyphenyl)nipecotic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C23H29N3O5 MolecularWeight: 427.49346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(CCC1=O)C(=O)OCC(=O)C(C#N)C(=N)C)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCN1[C@H]([C@@H](CCC1=O)C(=O)OCC(=O)[C@H](C#N)C(=N)C)C2=CC=C(C=C2)OC

InChI

InChI=1S/C23H29N3O5/c1-4-5-12-26-21(28)11-10-18(22(26)16-6-8-17(30-3)9-7-16)23(29)31-14-20(27)19(13-24)15(2)25/h6-9,18-19,22,25H,4-5,10-12,14H2,1-3H3/t18-,19-,22+/m1/s1