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

Systemtic Name: 2-[4-[[[5-(2-oxidanylpropan-2-yl)-1H-imidazol-4-yl]carbonylamino]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[[5-(1-hydroxy-1-methyl-ethyl)-1H-imidazole-4-carbonyl]amino]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[[[5-(2-hydroxypropan-2-yl)-1H-imidazol-4-yl]-oxomethyl]amino]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[[5-(2-hydroxypropan-2-yl)-1H-imidazole-4-carbonyl]amino]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[[5-(1-hydroxy-1-methyl-ethyl)-1H-imidazole-4-carbonyl]amino]methyl]phenyl]benzoic acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c1-21(2,28)18-17(23-12-24-18)19(25)22-11-13-7-9-14(10-8-13)15-5-3-4-6-16(15)20(26)27/h3-10,12,28H,11H2,1-2H3,(H,22,25)(H,23,24)(H,26,27)