[3-[2-(dimethylaminomethyl)-1-oxidanyl-cyclohexyl]phenyl] 4-methyl-2-oxidanyl-benzoate

Systemtic Name: [3-[2-(dimethylaminomethyl)-1-oxidanyl-cyclohexyl]phenyl] 4-methyl-2-oxidanyl-benzoate Openeye Name: [3-[2-(dimethylaminomethyl)-1-hydroxy-cyclohexyl]phenyl] 2-hydroxy-4-methyl-benzoate CAS Name: 2-hydroxy-4-methylbenzoic acid [3-[2-(dimethylaminomethyl)-1-hydroxycyclohexyl]phenyl] ester IUPAC Name: [3-[2-(dimethylaminomethyl)-1-hydroxycyclohexyl]phenyl] 2-hydroxy-4-methylbenzoate Traditional Name: 2-hydroxy-4-methyl-benzoic acid [3-[2-(dimethylaminomethyl)-1-hydroxy-cyclohexyl]phenyl] ester Formula: C23H29NO4 MolecularWeight: 383.48066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OC2=CC=CC(=C2)C3(CCCCC3CN(C)C)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)OC2=CC=CC(=C2)C3(CCCCC3CN(C)C)O)O

InChI

InChI=1S/C23H29NO4/c1-16-10-11-20(21(25)13-16)22(26)28-19-9-6-8-17(14-19)23(27)12-5-4-7-18(23)15-24(2)3/h6,8-11,13-14,18,25,27H,4-5,7,12,15H2,1-3H3