1,7-diphenylheptan-4-yl (2S)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carboxylate

Systemtic Name: 1,7-diphenylheptan-4-yl (2S)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carboxylate Openeye Name: [4-phenyl-1-(3-phenylpropyl)butyl] (2S)-1-(3,3-dimethyl-2-oxo-pentanoyl)piperidine-2-carboxylate CAS Name: (2S)-1-(3,3-dimethyl-1,2-dioxopentyl)-2-piperidinecarboxylic acid 1,7-diphenylheptan-4-yl ester IUPAC Name: 1,7-diphenylheptan-4-yl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate Traditional Name: (2S)-1-(2-keto-3,3-dimethyl-pentanoyl)pipecolinic acid [4-phenyl-1-(3-phenylpropyl)butyl] ester Formula: C32H43NO4 MolecularWeight: 505.68812

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCCC2=CC=CC=C2)CCCC3=CC=CC=C3

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(CCCC2=CC=CC=C2)CCCC3=CC=CC=C3

InChI

InChI=1S/C32H43NO4/c1-4-32(2,3)29(34)30(35)33-24-12-11-23-28(33)31(36)37-27(21-13-19-25-15-7-5-8-16-25)22-14-20-26-17-9-6-10-18-26/h5-10,15-18,27-28H,4,11-14,19-24H2,1-3H3/t28-/m0/s1