N-(2-cyanoethyl)-3,4,5-trimethoxy-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzamide

Systemtic Name: N-(2-cyanoethyl)-3,4,5-trimethoxy-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzamide Openeye Name: N-(2-cyanoethyl)-3,4,5-trimethoxy-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzamide CAS Name: N-(2-cyanoethyl)-3,4,5-trimethoxy-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzamide IUPAC Name: N-(2-cyanoethyl)-3,4,5-trimethoxy-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzamide Traditional Name: N-(2-cyanoethyl)-3,4,5-trimethoxy-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzamide Formula: C22H32N2O4 MolecularWeight: 388.50048

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)N(CCC#N)C(=O)C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

C[C@@H]1C[C@@H](CC(C1)(C)C)N(CCC#N)C(=O)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C22H32N2O4/c1-15-10-17(14-22(2,3)13-15)24(9-7-8-23)21(25)16-11-18(26-4)20(28-6)19(12-16)27-5/h11-12,15,17H,7,9-10,13-14H2,1-6H3/t15-,17+/m1/s1