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

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] (2R,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: [2-(cyclopropylamino)-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 [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] (2R,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate Traditional Name: (2R,3S)-1-butyl-6-keto-2-(4-methoxyphenyl)nipecotic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C22H30N2O5 MolecularWeight: 402.484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O5/c1-3-4-13-24-20(26)12-11-18(21(24)15-5-9-17(28-2)10-6-15)22(27)29-14-19(25)23-16-7-8-16/h5-6,9-10,16,18,21H,3-4,7-8,11-14H2,1-2H3,(H,23,25)/t18-,21-/m0/s1