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

Systemtic Name: 1-[2-[(4-cyclohexylphenyl)amino]-2-oxidanylidene-ethyl]-4-(dimethylamino)piperidine-4-carboxylic acid Openeye Name: 1-[2-(4-cyclohexylanilino)-2-oxo-ethyl]-4-(dimethylamino)piperidine-4-carboxylic acid CAS Name: 1-[2-(4-cyclohexylanilino)-2-oxoethyl]-4-(dimethylamino)-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(4-cyclohexylanilino)-2-oxoethyl]-4-(dimethylamino)piperidine-4-carboxylic acid Traditional Name: 1-[2-(4-cyclohexylanilino)-2-keto-ethyl]-4-(dimethylamino)isonipecotic acid Formula: C22H33N3O3 MolecularWeight: 387.51572

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1(CCN(CC1)CC(=O)NC2=CC=C(C=C2)C3CCCCC3)C(=O)O

Isomeric SMILES

CN(C)C1(CCN(CC1)CC(=O)NC2=CC=C(C=C2)C3CCCCC3)C(=O)O

InChI

InChI=1S/C22H33N3O3/c1-24(2)22(21(27)28)12-14-25(15-13-22)16-20(26)23-19-10-8-18(9-11-19)17-6-4-3-5-7-17/h8-11,17H,3-7,12-16H2,1-2H3,(H,23,26)(H,27,28)