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

Systemtic Name: 4-[[2-butyl-5-[(E)-3-oxidanyl-3-oxidanylidene-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]-2-phenyl-benzoic acid Openeye Name: 4-[[2-butyl-5-[(E)-3-hydroxy-3-oxo-2-(2-thienylmethyl)prop-1-enyl]imidazol-1-yl]methyl]-2-phenyl-benzoic acid CAS Name: 4-[[2-butyl-5-[(E)-3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]-1-imidazolyl]methyl]-2-phenylbenzoic acid IUPAC Name: 4-[[2-butyl-5-[(E)-3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]-2-phenylbenzoic acid Traditional Name: 4-[[2-butyl-5-[(E)-3-hydroxy-3-keto-2-(2-thenyl)prop-1-enyl]imidazol-1-yl]methyl]-2-phenyl-benzoic acid Formula: C29H28N2O4S MolecularWeight: 500.60862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC(=C(C=C2)C(=O)O)C3=CC=CC=C3)C=C(CC4=CC=CS4)C(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC(=C(C=C2)C(=O)O)C3=CC=CC=C3)/C=C(\CC4=CC=CS4)/C(=O)O

InChI

InChI=1S/C29H28N2O4S/c1-2-3-11-27-30-18-23(16-22(28(32)33)17-24-10-7-14-36-24)31(27)19-20-12-13-25(29(34)35)26(15-20)21-8-5-4-6-9-21/h4-10,12-16,18H,2-3,11,17,19H2,1H3,(H,32,33)(H,34,35)/b22-16+