3-[2-[2-(dimethylaminomethyl)-1-oxidanyl-cyclohexyl]phenyl]-2-oxidanyl-benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1CCCCC1(C2=CC=CC=C2C3=C(C(=CC=C3)C(=O)O)O)O

Isomeric SMILES

CN(C)CC1CCCCC1(C2=CC=CC=C2C3=C(C(=CC=C3)C(=O)O)O)O

InChI

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