2-[4-[[[5-(1-oxidanylbutyl)-1H-imidazol-4-yl]carbonylamino]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[[5-(1-oxidanylbutyl)-1H-imidazol-4-yl]carbonylamino]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[[5-(1-hydroxybutyl)-1H-imidazole-4-carbonyl]amino]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[[[5-(1-hydroxybutyl)-1H-imidazol-4-yl]-oxomethyl]amino]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[[5-(1-hydroxybutyl)-1H-imidazole-4-carbonyl]amino]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[[5-(1-hydroxybutyl)-1H-imidazole-4-carbonyl]amino]methyl]phenyl]benzoic acid Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(N=CN1)C(=O)NCC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)O

Isomeric SMILES

CCCC(C1=C(N=CN1)C(=O)NCC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)O

InChI

InChI=1S/C22H23N3O4/c1-2-5-18(26)19-20(25-13-24-19)21(27)23-12-14-8-10-15(11-9-14)16-6-3-4-7-17(16)22(28)29/h3-4,6-11,13,18,26H,2,5,12H2,1H3,(H,23,27)(H,24,25)(H,28,29)