tert-butyl 4-[2-(4-chlorophenyl)carbonylbutanoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(4-chlorophenyl)carbonylbutanoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(4-chlorobenzoyl)butanoyl]piperidine-1-carboxylate CAS Name: 4-[2-[(4-chlorophenyl)-oxomethyl]-1-oxobutyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-chlorobenzoyl)butanoyl]piperidine-1-carboxylate Traditional Name: 4-[2-(4-chlorobenzoyl)butanoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H28ClNO4 MolecularWeight: 393.90432

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1CCN(CC1)C(=O)OC(C)(C)C)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCC(C(=O)C1CCN(CC1)C(=O)OC(C)(C)C)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H28ClNO4/c1-5-17(18(24)14-6-8-16(22)9-7-14)19(25)15-10-12-23(13-11-15)20(26)27-21(2,3)4/h6-9,15,17H,5,10-13H2,1-4H3