4-[[2-butyl-5-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]imidazol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[2-butyl-5-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]imidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[2-butyl-5-[(E)-3-hydroxy-3-oxo-prop-1-enyl]imidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[2-butyl-5-[(E)-3-hydroxy-3-oxoprop-1-enyl]-1-imidazolyl]methyl]benzoic acid IUPAC Name: 4-[[2-butyl-5-[(E)-3-hydroxy-3-oxoprop-1-enyl]imidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[2-butyl-5-[(E)-3-hydroxy-3-keto-prop-1-enyl]imidazol-1-yl]methyl]benzoic acid Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C=CC(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)/C=C/C(=O)O

InChI

InChI=1S/C18H20N2O4/c1-2-3-4-16-19-11-15(9-10-17(21)22)20(16)12-13-5-7-14(8-6-13)18(23)24/h5-11H,2-4,12H2,1H3,(H,21,22)(H,23,24)/b10-9+