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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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