tert-butyl 4-[(3,4-dichlorophenyl)methyl-(3-fluorophenyl)amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(3,4-dichlorophenyl)methyl-(3-fluorophenyl)amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[N-[(3,4-dichlorophenyl)methyl]-3-fluoro-anilino]piperidine-1-carboxylate CAS Name: 4-[N-[(3,4-dichlorophenyl)methyl]-3-fluoroanilino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[N-[(3,4-dichlorophenyl)methyl]-3-fluoroanilino]piperidine-1-carboxylate Traditional Name: 4-(N-(3,4-dichlorobenzyl)-3-fluoro-anilino)piperidine-1-carboxylic acid tert-butyl ester Formula: C23H27Cl2FN2O2 MolecularWeight: 453.377083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)N(CC2=CC(=C(C=C2)Cl)Cl)C3=CC(=CC=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N(CC2=CC(=C(C=C2)Cl)Cl)C3=CC(=CC=C3)F

InChI

InChI=1S/C23H27Cl2FN2O2/c1-23(2,3)30-22(29)27-11-9-18(10-12-27)28(19-6-4-5-17(26)14-19)15-16-7-8-20(24)21(25)13-16/h4-8,13-14,18H,9-12,15H2,1-3H3