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

Systemtic Name: 5-[[[5-(1-oxidanylbutyl)-1H-imidazol-4-yl]carbonylamino]methyl]-2-phenyl-benzoic acid Openeye Name: 5-[[[5-(1-hydroxybutyl)-1H-imidazole-4-carbonyl]amino]methyl]-2-phenyl-benzoic acid CAS Name: 5-[[[[5-(1-hydroxybutyl)-1H-imidazol-4-yl]-oxomethyl]amino]methyl]-2-phenylbenzoic acid IUPAC Name: 5-[[[5-(1-hydroxybutyl)-1H-imidazole-4-carbonyl]amino]methyl]-2-phenylbenzoic acid Traditional Name: 5-[[[5-(1-hydroxybutyl)-1H-imidazole-4-carbonyl]amino]methyl]-2-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=C3)C(=O)O)O

Isomeric SMILES

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

InChI

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