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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4/c1-3-4-5-16-19-10-15(12(2)17(21)22)20(16)11-13-6-8-14(9-7-13)18(23)24/h6-10H,2-5,11H2,1H3,(H,21,22)(H,23,24)