[3-[(1R,2R)-2-(dimethylaminomethyl)-1-oxidanyl-cyclohexyl]phenyl] 2-oxidanylbenzoate

Systemtic Name: [3-[(1R,2R)-2-(dimethylaminomethyl)-1-oxidanyl-cyclohexyl]phenyl] 2-oxidanylbenzoate Openeye Name: [3-[(1R,2R)-2-(dimethylaminomethyl)-1-hydroxy-cyclohexyl]phenyl] 2-hydroxybenzoate CAS Name: 2-hydroxybenzoic acid [3-[(1R,2R)-2-(dimethylaminomethyl)-1-hydroxycyclohexyl]phenyl] ester IUPAC Name: [3-[(1R,2R)-2-(dimethylaminomethyl)-1-hydroxycyclohexyl]phenyl] 2-hydroxybenzoate Traditional Name: 2-hydroxybenzoic acid [3-[(1R,2R)-2-(dimethylaminomethyl)-1-hydroxy-cyclohexyl]phenyl] ester Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1CCCCC1(C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3O)O

Isomeric SMILES

CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3O)O

InChI

InChI=1S/C22H27NO4/c1-23(2)15-17-8-5-6-13-22(17,26)16-9-7-10-18(14-16)27-21(25)19-11-3-4-12-20(19)24/h3-4,7,9-12,14,17,24,26H,5-6,8,13,15H2,1-2H3/t17-,22+/m1/s1