4-[[4-methanoyl-1-(2-oxidanylbutyl)imidazol-2-yl]methyl]benzoic acid

Systemtic Name: 4-[[4-methanoyl-1-(2-oxidanylbutyl)imidazol-2-yl]methyl]benzoic acid Openeye Name: 4-[[4-formyl-1-(2-hydroxybutyl)imidazol-2-yl]methyl]benzoic acid CAS Name: 4-[[4-formyl-1-(2-hydroxybutyl)-2-imidazolyl]methyl]benzoic acid IUPAC Name: 4-[[4-formyl-1-(2-hydroxybutyl)imidazol-2-yl]methyl]benzoic acid Traditional Name: 4-[[4-formyl-1-(2-hydroxybutyl)imidazol-2-yl]methyl]benzoic acid Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C=C(N=C1CC2=CC=C(C=C2)C(=O)O)C=O)O

Isomeric SMILES

CCC(CN1C=C(N=C1CC2=CC=C(C=C2)C(=O)O)C=O)O

InChI

InChI=1S/C16H18N2O4/c1-2-14(20)9-18-8-13(10-19)17-15(18)7-11-3-5-12(6-4-11)16(21)22/h3-6,8,10,14,20H,2,7,9H2,1H3,(H,21,22)