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

Systemtic Name: [3-[2-(dimethylaminomethyl)-1-oxidanyl-cyclohexyl]phenyl] 4-chloranyl-2-oxidanyl-benzoate Openeye Name: [3-[2-(dimethylaminomethyl)-1-hydroxy-cyclohexyl]phenyl] 4-chloro-2-hydroxy-benzoate CAS Name: 4-chloro-2-hydroxybenzoic acid [3-[2-(dimethylaminomethyl)-1-hydroxycyclohexyl]phenyl] ester IUPAC Name: [3-[2-(dimethylaminomethyl)-1-hydroxycyclohexyl]phenyl] 4-chloro-2-hydroxybenzoate Traditional Name: 4-chloro-2-hydroxy-benzoic acid [3-[2-(dimethylaminomethyl)-1-hydroxy-cyclohexyl]phenyl] ester Formula: C22H26ClNO4 MolecularWeight: 403.89914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClNO4/c1-24(2)14-16-6-3-4-11-22(16,27)15-7-5-8-18(12-15)28-21(26)19-10-9-17(23)13-20(19)25/h5,7-10,12-13,16,25,27H,3-4,6,11,14H2,1-2H3