1,3-benzodioxol-5-yl (2R,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate

Systemtic Name: 1,3-benzodioxol-5-yl (2R,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: 1,3-benzodioxol-5-yl (2R,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxo-piperidine-3-carboxylate CAS Name: (2R,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxo-3-piperidinecarboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl (2R,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate Traditional Name: (2R,3S)-1-butyl-6-keto-2-(2-methoxyphenyl)nipecotic acid 1,3-benzodioxol-5-yl ester Formula: C24H27NO6 MolecularWeight: 425.47428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(CCC1=O)C(=O)OC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4OC

Isomeric SMILES

CCCCN1[C@H]([C@H](CCC1=O)C(=O)OC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4OC

InChI

InChI=1S/C24H27NO6/c1-3-4-13-25-22(26)12-10-18(23(25)17-7-5-6-8-19(17)28-2)24(27)31-16-9-11-20-21(14-16)30-15-29-20/h5-9,11,14,18,23H,3-4,10,12-13,15H2,1-2H3/t18-,23-/m0/s1