1-[1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[1-methyl-2-oxo-2-[4-(1-piperidyl)anilino]ethyl]piperidine-4-carboxylic acid CAS Name: 1-[1-oxo-1-[4-(1-piperidinyl)anilino]propan-2-yl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[2-keto-1-methyl-2-(4-piperidinoanilino)ethyl]isonipecotic acid Formula: C20H29N3O3 MolecularWeight: 359.46256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C20H29N3O3/c1-15(22-13-9-16(10-14-22)20(25)26)19(24)21-17-5-7-18(8-6-17)23-11-3-2-4-12-23/h5-8,15-16H,2-4,9-14H2,1H3,(H,21,24)(H,25,26)