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

Systemtic Name: 2-[4-[[[5-(1-hydroxyethyl)-1H-imidazol-4-yl]carbonylamino]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[[5-(1-hydroxyethyl)-1H-imidazole-4-carbonyl]amino]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[[[5-(1-hydroxyethyl)-1H-imidazol-4-yl]-oxomethyl]amino]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[[5-(1-hydroxyethyl)-1H-imidazole-4-carbonyl]amino]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[[5-(1-hydroxyethyl)-1H-imidazole-4-carbonyl]amino]methyl]phenyl]benzoic acid Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O4/c1-12(24)17-18(23-11-22-17)19(25)21-10-13-6-8-14(9-7-13)15-4-2-3-5-16(15)20(26)27/h2-9,11-12,24H,10H2,1H3,(H,21,25)(H,22,23)(H,26,27)