4-(2-nitro-1-phenyl-ethyl)-1-(2-phenylcyclohexyl)piperidine-4-carboxylic acid

Systemtic Name: 4-(2-nitro-1-phenyl-ethyl)-1-(2-phenylcyclohexyl)piperidine-4-carboxylic acid Openeye Name: 4-(2-nitro-1-phenyl-ethyl)-1-(2-phenylcyclohexyl)piperidine-4-carboxylic acid CAS Name: 4-(2-nitro-1-phenylethyl)-1-(2-phenylcyclohexyl)-4-piperidinecarboxylic acid IUPAC Name: 4-(2-nitro-1-phenylethyl)-1-(2-phenylcyclohexyl)piperidine-4-carboxylic acid Traditional Name: 4-(2-nitro-1-phenyl-ethyl)-1-(2-phenylcyclohexyl)isonipecotic acid Formula: C26H32N2O4 MolecularWeight: 436.54328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O4/c29-25(30)26(23(19-28(31)32)21-11-5-2-6-12-21)15-17-27(18-16-26)24-14-8-7-13-22(24)20-9-3-1-4-10-20/h1-6,9-12,22-24H,7-8,13-19H2,(H,29,30)