2-[4-[hexyl(methyl)amino]-2-oxidanyl-phenyl]carbonylbenzoic acid

Systemtic Name: 2-[4-[hexyl(methyl)amino]-2-oxidanyl-phenyl]carbonylbenzoic acid Openeye Name: 2-[4-[hexyl(methyl)amino]-2-hydroxy-benzoyl]benzoic acid CAS Name: 2-[[4-[hexyl(methyl)amino]-2-hydroxyphenyl]-oxomethyl]benzoic acid IUPAC Name: 2-[4-[hexyl(methyl)amino]-2-hydroxybenzoyl]benzoic acid Traditional Name: 2-[4-[hexyl(methyl)amino]-2-hydroxy-benzoyl]benzoic acid Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C)C1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)O

Isomeric SMILES

CCCCCCN(C)C1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)O

InChI

InChI=1S/C21H25NO4/c1-3-4-5-8-13-22(2)15-11-12-18(19(23)14-15)20(24)16-9-6-7-10-17(16)21(25)26/h6-7,9-12,14,23H,3-5,8,13H2,1-2H3,(H,25,26)