4-[[2-butyl-4-[(E)-3-oxidanyl-3-oxidanylidene-2-(phenylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[2-butyl-4-[(E)-3-oxidanyl-3-oxidanylidene-2-(phenylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[4-[(E)-2-benzyl-3-hydroxy-3-oxo-prop-1-enyl]-2-butyl-imidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[2-butyl-4-[(E)-3-hydroxy-3-oxo-2-(phenylmethyl)prop-1-enyl]-1-imidazolyl]methyl]benzoic acid IUPAC Name: 4-[[4-[(E)-2-benzyl-3-hydroxy-3-oxoprop-1-enyl]-2-butylimidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[4-[(E)-2-benzyl-3-hydroxy-3-keto-prop-1-enyl]-2-butyl-imidazol-1-yl]methyl]benzoic acid Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=CN1CC2=CC=C(C=C2)C(=O)O)C=C(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCC1=NC(=CN1CC2=CC=C(C=C2)C(=O)O)/C=C(\CC3=CC=CC=C3)/C(=O)O

InChI

InChI=1S/C25H26N2O4/c1-2-3-9-23-26-22(15-21(25(30)31)14-18-7-5-4-6-8-18)17-27(23)16-19-10-12-20(13-11-19)24(28)29/h4-8,10-13,15,17H,2-3,9,14,16H2,1H3,(H,28,29)(H,30,31)/b21-15+