N-[(2R)-2-[(2-methylphenyl)carbonylamino]cyclohexyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-[(2R)-2-[(2-methylphenyl)carbonylamino]cyclohexyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[(2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-[(2R)-2-[[(2-methylphenyl)-oxomethyl]amino]cyclohexyl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-[(2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-[(2R)-2-(o-toluoylamino)cyclohexyl]-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C29H35N3O3 MolecularWeight: 473.6065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2CCCCC2NC(=O)C3CCN(CC3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H]2CCCCC2NC(=O)C3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C29H35N3O3/c1-21-9-5-6-12-24(21)29(35)31-26-14-8-7-13-25(26)30-28(34)23-17-19-32(20-18-23)27(33)16-15-22-10-3-2-4-11-22/h2-6,9-12,15-16,23,25-26H,7-8,13-14,17-20H2,1H3,(H,30,34)(H,31,35)/b16-15+/t25?,26-/m1/s1