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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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