1,4-diphenylbutan-2-yl 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carboxylate

Systemtic Name: 1,4-diphenylbutan-2-yl 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carboxylate Openeye Name: (1-benzyl-3-phenyl-propyl) 1-(3,3-dimethyl-2-oxo-pentanoyl)piperidine-2-carboxylate CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-2-piperidinecarboxylic acid 1,4-diphenylbutan-2-yl ester IUPAC Name: 1,4-diphenylbutan-2-yl 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate Traditional Name: 1-(2-keto-3,3-dimethyl-pentanoyl)pipecolinic acid (1-benzyl-3-phenyl-propyl) ester Formula: C29H37NO4 MolecularWeight: 463.60838

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C29H37NO4/c1-4-29(2,3)26(31)27(32)30-20-12-11-17-25(30)28(33)34-24(21-23-15-9-6-10-16-23)19-18-22-13-7-5-8-14-22/h5-10,13-16,24-25H,4,11-12,17-21H2,1-3H3