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

Systemtic Name: 4-[[2-butyl-5-[(E)-3-methoxy-3-oxidanylidene-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[2-butyl-5-[(E)-3-methoxy-3-oxo-2-(2-thienylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[2-butyl-5-[(E)-3-methoxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]-1-imidazolyl]methyl]benzoic acid IUPAC Name: 4-[[2-butyl-5-[(E)-3-methoxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[2-butyl-5-[(E)-3-keto-3-methoxy-2-(2-thenyl)prop-1-enyl]imidazol-1-yl]methyl]benzoic acid Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C=C(CC3=CC=CS3)C(=O)OC

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)/C=C(\CC3=CC=CS3)/C(=O)OC

InChI

InChI=1S/C24H26N2O4S/c1-3-4-7-22-25-15-20(13-19(24(29)30-2)14-21-6-5-12-31-21)26(22)16-17-8-10-18(11-9-17)23(27)28/h5-6,8-13,15H,3-4,7,14,16H2,1-2H3,(H,27,28)/b19-13+