1-[2-[(4-cyclohexylphenyl)amino]-2-oxidanylidene-ethyl]-4-phenylazanyl-piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[(4-cyclohexylphenyl)amino]-2-oxidanylidene-ethyl]-4-phenylazanyl-piperidine-4-carboxylic acid Openeye Name: 4-anilino-1-[2-(4-cyclohexylanilino)-2-oxo-ethyl]piperidine-4-carboxylic acid CAS Name: 4-anilino-1-[2-(4-cyclohexylanilino)-2-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 4-anilino-1-[2-(4-cyclohexylanilino)-2-oxoethyl]piperidine-4-carboxylic acid Traditional Name: 4-anilino-1-[2-(4-cyclohexylanilino)-2-keto-ethyl]isonipecotic acid Formula: C26H33N3O3 MolecularWeight: 435.55852

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)NC(=O)CN3CCC(CC3)(C(=O)O)NC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)NC(=O)CN3CCC(CC3)(C(=O)O)NC4=CC=CC=C4

InChI

InChI=1S/C26H33N3O3/c30-24(27-22-13-11-21(12-14-22)20-7-3-1-4-8-20)19-29-17-15-26(16-18-29,25(31)32)28-23-9-5-2-6-10-23/h2,5-6,9-14,20,28H,1,3-4,7-8,15-19H2,(H,27,30)(H,31,32)