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

Systemtic Name: 1-[2-[(4-cyclohexylphenyl)amino]-2-oxidanylidene-ethyl]-4-(methylamino)piperidine-4-carboxylic acid Openeye Name: 1-[2-(4-cyclohexylanilino)-2-oxo-ethyl]-4-(methylamino)piperidine-4-carboxylic acid CAS Name: 1-[2-(4-cyclohexylanilino)-2-oxoethyl]-4-(methylamino)-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(4-cyclohexylanilino)-2-oxoethyl]-4-(methylamino)piperidine-4-carboxylic acid Traditional Name: 1-[2-(4-cyclohexylanilino)-2-keto-ethyl]-4-(methylamino)isonipecotic acid Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

CNC1(CCN(CC1)CC(=O)NC2=CC=C(C=C2)C3CCCCC3)C(=O)O

Isomeric SMILES

CNC1(CCN(CC1)CC(=O)NC2=CC=C(C=C2)C3CCCCC3)C(=O)O

InChI

InChI=1S/C21H31N3O3/c1-22-21(20(26)27)11-13-24(14-12-21)15-19(25)23-18-9-7-17(8-10-18)16-5-3-2-4-6-16/h7-10,16,22H,2-6,11-15H2,1H3,(H,23,25)(H,26,27)