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

Systemtic Name: [2-(methylcarbamoylamino)-2-oxidanylidene-ethyl] (2R,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: [2-(methylcarbamoylamino)-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-(methylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylcarbamoylamino)-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-keto-2-(methylcarbamoylamino)ethyl] ester Formula: C21H29N3O6 MolecularWeight: 419.47146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(CCC1=O)C(=O)OCC(=O)NC(=O)NC)C2=CC=C(C=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O6/c1-4-5-12-24-18(26)11-10-16(19(24)14-6-8-15(29-3)9-7-14)20(27)30-13-17(25)23-21(28)22-2/h6-9,16,19H,4-5,10-13H2,1-3H3,(H2,22,23,25,28)/t16-,19-/m0/s1