phenethyl 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carboxylate

Systemtic Name: phenethyl 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carboxylate Openeye Name: phenethyl 1-(3,3-dimethyl-2-oxo-pentanoyl)piperidine-2-carboxylate CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-2-piperidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate Traditional Name: 1-(2-keto-3,3-dimethyl-pentanoyl)pipecolinic acid phenethyl ester Formula: C21H29NO4 MolecularWeight: 359.45926

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C21H29NO4/c1-4-21(2,3)18(23)19(24)22-14-9-8-12-17(22)20(25)26-15-13-16-10-6-5-7-11-16/h5-7,10-11,17H,4,8-9,12-15H2,1-3H3