tert-butyl 4-(4-chloranyl-3-ethanoyl-phenyl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(4-chloranyl-3-ethanoyl-phenyl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-(3-acetyl-4-chloro-phenyl)piperidine-1-carboxylate CAS Name: 4-(3-acetyl-4-chlorophenyl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-acetyl-4-chlorophenyl)piperidine-1-carboxylate Traditional Name: 4-(3-acetyl-4-chloro-phenyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C18H24ClNO3 MolecularWeight: 337.84106

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)C2CCN(CC2)C(=O)OC(C)(C)C)Cl

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)C2CCN(CC2)C(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C18H24ClNO3/c1-12(21)15-11-14(5-6-16(15)19)13-7-9-20(10-8-13)17(22)23-18(2,3)4/h5-6,11,13H,7-10H2,1-4H3