1-(2-cyclohexyl-2-oxidanylidene-ethanoyl)-3-(1-phenylpropyl)piperidine-2-carboxylic acid

Systemtic Name: 1-(2-cyclohexyl-2-oxidanylidene-ethanoyl)-3-(1-phenylpropyl)piperidine-2-carboxylic acid Openeye Name: 1-(2-cyclohexyl-2-oxo-acetyl)-3-(1-phenylpropyl)piperidine-2-carboxylic acid CAS Name: 1-(2-cyclohexyl-1,2-dioxoethyl)-3-(1-phenylpropyl)-2-piperidinecarboxylic acid IUPAC Name: 1-(2-cyclohexyl-2-oxoacetyl)-3-(1-phenylpropyl)piperidine-2-carboxylic acid Traditional Name: 1-(2-cyclohexyl-2-keto-acetyl)-3-(1-phenylpropyl)pipecolinic acid Formula: C23H31NO4 MolecularWeight: 385.49654

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCCN(C1C(=O)O)C(=O)C(=O)C2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

CCC(C1CCCN(C1C(=O)O)C(=O)C(=O)C2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C23H31NO4/c1-2-18(16-10-5-3-6-11-16)19-14-9-15-24(20(19)23(27)28)22(26)21(25)17-12-7-4-8-13-17/h3,5-6,10-11,17-20H,2,4,7-9,12-15H2,1H3,(H,27,28)