[4-[2-(dimethylamino)-1-(1-oxidanylcyclohexyl)ethyl]phenyl] 4-methylbenzoate

Systemtic Name: [4-[2-(dimethylamino)-1-(1-oxidanylcyclohexyl)ethyl]phenyl] 4-methylbenzoate Openeye Name: [4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenyl] ester IUPAC Name: [4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenyl] ester Formula: C24H31NO3 MolecularWeight: 381.50784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(CN(C)C)C3(CCCCC3)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(CN(C)C)C3(CCCCC3)O

InChI

InChI=1S/C24H31NO3/c1-18-7-9-20(10-8-18)23(26)28-21-13-11-19(12-14-21)22(17-25(2)3)24(27)15-5-4-6-16-24/h7-14,22,27H,4-6,15-17H2,1-3H3