1-(2-ethylhexanoyl)-N-[(2R)-2-[(2-methylphenyl)carbonylamino]cyclohexyl]piperidine-4-carboxamide

Systemtic Name: 1-(2-ethylhexanoyl)-N-[(2R)-2-[(2-methylphenyl)carbonylamino]cyclohexyl]piperidine-4-carboxamide Openeye Name: 1-(2-ethylhexanoyl)-N-[(2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-4-carboxamide CAS Name: 1-(2-ethyl-1-oxohexyl)-N-[(2R)-2-[[(2-methylphenyl)-oxomethyl]amino]cyclohexyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-ethylhexanoyl)-N-[(2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-4-carboxamide Traditional Name: 1-(2-ethylhexanoyl)-N-[(2R)-2-(o-toluoylamino)cyclohexyl]isonipecotamide Formula: C28H43N3O3 MolecularWeight: 469.65932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N1CCC(CC1)C(=O)NC2CCCCC2NC(=O)C3=CC=CC=C3C

Isomeric SMILES

CCCCC(CC)C(=O)N1CCC(CC1)C(=O)NC2CCCC[C@H]2NC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C28H43N3O3/c1-4-6-12-21(5-2)28(34)31-18-16-22(17-19-31)26(32)29-24-14-9-10-15-25(24)30-27(33)23-13-8-7-11-20(23)3/h7-8,11,13,21-22,24-25H,4-6,9-10,12,14-19H2,1-3H3,(H,29,32)(H,30,33)/t21?,24?,25-/m1/s1