1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-N-(4-phenylbutyl)-6-propyl-piperidine-2-carboxamide

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-N-(4-phenylbutyl)-6-propyl-piperidine-2-carboxamide Openeye Name: 1-(3,3-dimethyl-2-oxo-pentanoyl)-N-(4-phenylbutyl)-6-propyl-piperidine-2-carboxamide CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-N-(4-phenylbutyl)-6-propyl-2-piperidinecarboxamide IUPAC Name: 1-(3,3-dimethyl-2-oxopentanoyl)-N-(4-phenylbutyl)-6-propylpiperidine-2-carboxamide Traditional Name: 1-(2-keto-3,3-dimethyl-pentanoyl)-N-(4-phenylbutyl)-6-propyl-pipecolinamide Formula: C26H40N2O3 MolecularWeight: 428.6074

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCCC(N1C(=O)C(=O)C(C)(C)CC)C(=O)NCCCCC2=CC=CC=C2

Isomeric SMILES

CCCC1CCCC(N1C(=O)C(=O)C(C)(C)CC)C(=O)NCCCCC2=CC=CC=C2

InChI

InChI=1S/C26H40N2O3/c1-5-13-21-17-12-18-22(28(21)25(31)23(29)26(3,4)6-2)24(30)27-19-11-10-16-20-14-8-7-9-15-20/h7-9,14-15,21-22H,5-6,10-13,16-19H2,1-4H3,(H,27,30)