4-phenylbutyl 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-2-[2-(4-methoxyphenyl)ethyl]piperidine-2-carboxylate

Systemtic Name: 4-phenylbutyl 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-2-[2-(4-methoxyphenyl)ethyl]piperidine-2-carboxylate Openeye Name: 4-phenylbutyl 1-(3,3-dimethyl-2-oxo-pentanoyl)-2-[2-(4-methoxyphenyl)ethyl]piperidine-2-carboxylate CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-2-[2-(4-methoxyphenyl)ethyl]-2-piperidinecarboxylic acid 4-phenylbutyl ester IUPAC Name: 4-phenylbutyl 1-(3,3-dimethyl-2-oxopentanoyl)-2-[2-(4-methoxyphenyl)ethyl]piperidine-2-carboxylate Traditional Name: 1-(2-keto-3,3-dimethyl-pentanoyl)-2-[2-(4-methoxyphenyl)ethyl]pipecolinic acid 4-phenylbutyl ester Formula: C32H43NO5 MolecularWeight: 521.68752

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCCC1(CCC2=CC=C(C=C2)OC)C(=O)OCCCCC3=CC=CC=C3

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCCC1(CCC2=CC=C(C=C2)OC)C(=O)OCCCCC3=CC=CC=C3

InChI

InChI=1S/C32H43NO5/c1-5-31(2,3)28(34)29(35)33-23-11-10-21-32(33,22-20-26-16-18-27(37-4)19-17-26)30(36)38-24-12-9-15-25-13-7-6-8-14-25/h6-8,13-14,16-19H,5,9-12,15,20-24H2,1-4H3