[3-(1,3-benzodioxol-5-yl)-1-phenyl-propyl] (2R)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carboxylate

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-propyl] (2R)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carboxylate Openeye Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-propyl] (2R)-1-(3,3-dimethyl-2-oxo-pentanoyl)piperidine-2-carboxylate CAS Name: (2R)-1-(3,3-dimethyl-1,2-dioxopentyl)-2-piperidinecarboxylic acid [3-(1,3-benzodioxol-5-yl)-1-phenylpropyl] ester IUPAC Name: [3-(1,3-benzodioxol-5-yl)-1-phenylpropyl] (2R)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate Traditional Name: (2R)-1-(2-keto-3,3-dimethyl-pentanoyl)pipecolinic acid [3-(1,3-benzodioxol-5-yl)-1-phenyl-propyl] ester Formula: C29H35NO6 MolecularWeight: 493.5913

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCC[C@@H]1C(=O)OC(CCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C29H35NO6/c1-4-29(2,3)26(31)27(32)30-17-9-8-12-22(30)28(33)36-23(21-10-6-5-7-11-21)15-13-20-14-16-24-25(18-20)35-19-34-24/h5-7,10-11,14,16,18,22-23H,4,8-9,12-13,15,17,19H2,1-3H3/t22-,23?/m1/s1