N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-N'-(4-phenethyloxyphenyl)pentanediamide

Systemtic Name: N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-N'-(4-phenethyloxyphenyl)pentanediamide Openeye Name: N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-N'-(4-phenethyloxyphenyl)pentanediamide CAS Name: N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-N'-(4-phenethyloxyphenyl)pentanediamide IUPAC Name: N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-N'-(4-phenethyloxyphenyl)pentanediamide Traditional Name: N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-N'-(4-phenethyloxyphenyl)glutaramide Formula: C27H36N2O3 MolecularWeight: 436.58634

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)CCCC(=O)NC2=CC=C(C=C2)OCCC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)CCCC(=O)NC2=CC=C(C=C2)OCCC3=CC=CC=C3

InChI

InChI=1S/C27H36N2O3/c1-20-8-6-11-25(21(20)2)29-27(31)13-7-12-26(30)28-23-14-16-24(17-15-23)32-19-18-22-9-4-3-5-10-22/h3-5,9-10,14-17,20-21,25H,6-8,11-13,18-19H2,1-2H3,(H,28,30)(H,29,31)/t20-,21+,25-/m0/s1