1-[2-(4-fluorophenyl)cyclohexyl]-4-(2-nitro-1-phenyl-ethyl)piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(4-fluorophenyl)cyclohexyl]-4-(2-nitro-1-phenyl-ethyl)piperidine-4-carboxylic acid Openeye Name: 1-[2-(4-fluorophenyl)cyclohexyl]-4-(2-nitro-1-phenyl-ethyl)piperidine-4-carboxylic acid CAS Name: 1-[2-(4-fluorophenyl)cyclohexyl]-4-(2-nitro-1-phenylethyl)-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(4-fluorophenyl)cyclohexyl]-4-(2-nitro-1-phenylethyl)piperidine-4-carboxylic acid Traditional Name: 1-[2-(4-fluorophenyl)cyclohexyl]-4-(2-nitro-1-phenyl-ethyl)isonipecotic acid Formula: C26H31FN2O4 MolecularWeight: 454.533743

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C2=CC=C(C=C2)F)N3CCC(CC3)(C(C[N+](=O)[O-])C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CCC(C(C1)C2=CC=C(C=C2)F)N3CCC(CC3)(C(C[N+](=O)[O-])C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H31FN2O4/c27-21-12-10-19(11-13-21)22-8-4-5-9-24(22)28-16-14-26(15-17-28,25(30)31)23(18-29(32)33)20-6-2-1-3-7-20/h1-3,6-7,10-13,22-24H,4-5,8-9,14-18H2,(H,30,31)