2-[4-[2-(dimethylamino)-1-(1-oxidanylcyclohexyl)ethyl]phenoxy]carbonylbenzoic acid

Systemtic Name: 2-[4-[2-(dimethylamino)-1-(1-oxidanylcyclohexyl)ethyl]phenoxy]carbonylbenzoic acid Openeye Name: 2-[4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenoxy]carbonylbenzoic acid CAS Name: 2-[[4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenoxy]-oxomethyl]benzoic acid IUPAC Name: 2-[4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenoxy]carbonylbenzoic acid Traditional Name: 2-[4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenoxy]carbonylbenzoic acid Formula: C24H29NO5 MolecularWeight: 411.49076

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2C(=O)O)C3(CCCCC3)O

Isomeric SMILES

CN(C)CC(C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2C(=O)O)C3(CCCCC3)O

InChI

InChI=1S/C24H29NO5/c1-25(2)16-21(24(29)14-6-3-7-15-24)17-10-12-18(13-11-17)30-23(28)20-9-5-4-8-19(20)22(26)27/h4-5,8-13,21,29H,3,6-7,14-16H2,1-2H3,(H,26,27)