[2-[3-[[4-(dimethylamino)-4-phenethyl-cyclohexyl]amino]-3-oxidanylidene-propyl]phenyl] benzoate

Systemtic Name: [2-[3-[[4-(dimethylamino)-4-phenethyl-cyclohexyl]amino]-3-oxidanylidene-propyl]phenyl] benzoate Openeye Name: [2-[3-[[4-(dimethylamino)-4-phenethyl-cyclohexyl]amino]-3-oxo-propyl]phenyl] benzoate CAS Name: benzoic acid [2-[3-[[4-(dimethylamino)-4-phenethylcyclohexyl]amino]-3-oxopropyl]phenyl] ester IUPAC Name: [2-[3-[[4-(dimethylamino)-4-phenethylcyclohexyl]amino]-3-oxopropyl]phenyl] benzoate Traditional Name: benzoic acid [2-[3-[[4-(dimethylamino)-4-phenethyl-cyclohexyl]amino]-3-keto-propyl]phenyl] ester Formula: C32H38N2O3 MolecularWeight: 498.65572

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1(CCC(CC1)NC(=O)CCC2=CC=CC=C2OC(=O)C3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

CN(C)C1(CCC(CC1)NC(=O)CCC2=CC=CC=C2OC(=O)C3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C32H38N2O3/c1-34(2)32(22-19-25-11-5-3-6-12-25)23-20-28(21-24-32)33-30(35)18-17-26-13-9-10-16-29(26)37-31(36)27-14-7-4-8-15-27/h3-16,28H,17-24H2,1-2H3,(H,33,35)