[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] (3R)-1-(4-chlorophenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] (3R)-1-(4-chlorophenyl)carbonylpiperidine-3-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] (3R)-1-(4-chlorobenzoyl)piperidine-3-carboxylate CAS Name: (3R)-1-[(4-chlorophenyl)-oxomethyl]-3-piperidinecarboxylic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] (3R)-1-(4-chlorobenzoyl)piperidine-3-carboxylate Traditional Name: (3R)-1-(4-chlorobenzoyl)nipecotic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C22H20ClNO6 MolecularWeight: 429.8503

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)OCC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)OCC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H20ClNO6/c23-17-6-3-14(4-7-17)21(26)24-9-1-2-16(11-24)22(27)28-12-18(25)15-5-8-19-20(10-15)30-13-29-19/h3-8,10,16H,1-2,9,11-13H2/t16-/m1/s1