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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(CNC1=CC=CC=C1C(=O)C2=CC=CC=C2C(=O)O)O

Isomeric SMILES

CCC(C)CC(CNC1=CC=CC=C1C(=O)C2=CC=CC=C2C(=O)O)O

InChI

InChI=1S/C21H25NO4/c1-3-14(2)12-15(23)13-22-19-11-7-6-10-18(19)20(24)16-8-4-5-9-17(16)21(25)26/h4-11,14-15,22-23H,3,12-13H2,1-2H3,(H,25,26)