2-[3-[cyclohexylmethyl(methyl)amino]-2-oxidanyl-phenyl]carbonylbenzoic acid

Systemtic Name: 2-[3-[cyclohexylmethyl(methyl)amino]-2-oxidanyl-phenyl]carbonylbenzoic acid Openeye Name: 2-[3-[cyclohexylmethyl(methyl)amino]-2-hydroxy-benzoyl]benzoic acid CAS Name: 2-[[3-[cyclohexylmethyl(methyl)amino]-2-hydroxyphenyl]-oxomethyl]benzoic acid IUPAC Name: 2-[3-[cyclohexylmethyl(methyl)amino]-2-hydroxybenzoyl]benzoic acid Traditional Name: 2-[3-[cyclohexylmethyl(methyl)amino]-2-hydroxy-benzoyl]benzoic acid Formula: C22H25NO4 MolecularWeight: 367.4382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCCCC1)C2=CC=CC(=C2O)C(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CN(CC1CCCCC1)C2=CC=CC(=C2O)C(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C22H25NO4/c1-23(14-15-8-3-2-4-9-15)19-13-7-12-18(21(19)25)20(24)16-10-5-6-11-17(16)22(26)27/h5-7,10-13,15,25H,2-4,8-9,14H2,1H3,(H,26,27)