[(1R)-1,3-diphenylpropyl] 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carboxylate

Systemtic Name: [(1R)-1,3-diphenylpropyl] 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carboxylate Openeye Name: [(1R)-1,3-diphenylpropyl] 1-(3,3-dimethyl-2-oxo-pentanoyl)piperidine-2-carboxylate CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-2-piperidinecarboxylic acid [(1R)-1,3-diphenylpropyl] ester IUPAC Name: [(1R)-1,3-diphenylpropyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate Traditional Name: 1-(2-keto-3,3-dimethyl-pentanoyl)pipecolinic acid [(1R)-1,3-diphenylpropyl] ester Formula: C28H35NO4 MolecularWeight: 449.5818

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)O[C@H](CCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C28H35NO4/c1-4-28(2,3)25(30)26(31)29-20-12-11-17-23(29)27(32)33-24(22-15-9-6-10-16-22)19-18-21-13-7-5-8-14-21/h5-10,13-16,23-24H,4,11-12,17-20H2,1-3H3/t23?,24-/m1/s1