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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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