4-[1-(4-methoxyphenyl)-2-nitro-ethyl]-1-[2-(4-methylphenyl)cyclohexyl]piperidine-4-carboxylic acid

Systemtic Name: 4-[1-(4-methoxyphenyl)-2-nitro-ethyl]-1-[2-(4-methylphenyl)cyclohexyl]piperidine-4-carboxylic acid Openeye Name: 4-[1-(4-methoxyphenyl)-2-nitro-ethyl]-1-[2-(p-tolyl)cyclohexyl]piperidine-4-carboxylic acid CAS Name: 4-[1-(4-methoxyphenyl)-2-nitroethyl]-1-[2-(4-methylphenyl)cyclohexyl]-4-piperidinecarboxylic acid IUPAC Name: 4-[1-(4-methoxyphenyl)-2-nitroethyl]-1-[2-(4-methylphenyl)cyclohexyl]piperidine-4-carboxylic acid Traditional Name: 4-[1-(4-methoxyphenyl)-2-nitro-ethyl]-1-[2-(p-tolyl)cyclohexyl]isonipecotic acid Formula: C28H36N2O5 MolecularWeight: 480.59584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CCCCC2N3CCC(CC3)(C(C[N+](=O)[O-])C4=CC=C(C=C4)OC)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2CCCCC2N3CCC(CC3)(C(C[N+](=O)[O-])C4=CC=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C28H36N2O5/c1-20-7-9-21(10-8-20)24-5-3-4-6-26(24)29-17-15-28(16-18-29,27(31)32)25(19-30(33)34)22-11-13-23(35-2)14-12-22/h7-14,24-26H,3-6,15-19H2,1-2H3,(H,31,32)