[2-[[4-(dimethylamino)-4-phenethyl-cyclohexyl]carbamoyl]phenyl]methyl benzoate

Systemtic Name: [2-[[4-(dimethylamino)-4-phenethyl-cyclohexyl]carbamoyl]phenyl]methyl benzoate Openeye Name: [2-[[4-(dimethylamino)-4-phenethyl-cyclohexyl]carbamoyl]phenyl]methyl benzoate CAS Name: benzoic acid [2-[[[4-(dimethylamino)-4-phenethylcyclohexyl]amino]-oxomethyl]phenyl]methyl ester IUPAC Name: [2-[[4-(dimethylamino)-4-phenethylcyclohexyl]carbamoyl]phenyl]methyl benzoate Traditional Name: benzoic acid [2-[[4-(dimethylamino)-4-phenethyl-cyclohexyl]carbamoyl]benzyl] ester Formula: C31H36N2O3 MolecularWeight: 484.62914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1(CCC(CC1)NC(=O)C2=CC=CC=C2COC(=O)C3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

CN(C)C1(CCC(CC1)NC(=O)C2=CC=CC=C2COC(=O)C3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C31H36N2O3/c1-33(2)31(20-17-24-11-5-3-6-12-24)21-18-27(19-22-31)32-29(34)28-16-10-9-15-26(28)23-36-30(35)25-13-7-4-8-14-25/h3-16,27H,17-23H2,1-2H3,(H,32,34)