(4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 1-(4-fluorophenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: (4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 1-(4-fluorophenyl)carbonylpiperidine-3-carboxylate Openeye Name: (4-chloro-2-isopropyl-5-methyl-phenyl) 1-(4-fluorobenzoyl)piperidine-3-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-3-piperidinecarboxylic acid (4-chloro-5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (4-chloro-5-methyl-2-propan-2-ylphenyl) 1-(4-fluorobenzoyl)piperidine-3-carboxylate Traditional Name: 1-(4-fluorobenzoyl)nipecotic acid (4-chloro-2-isopropyl-5-methyl-phenyl) ester Formula: C23H25ClFNO3 MolecularWeight: 417.900903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H25ClFNO3/c1-14(2)19-12-20(24)15(3)11-21(19)29-23(28)17-5-4-10-26(13-17)22(27)16-6-8-18(25)9-7-16/h6-9,11-12,14,17H,4-5,10,13H2,1-3H3