4-[[2-butyl-5-[(Z)-3-oxidanyl-3-oxidanylidene-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]naphthalene-1-carboxylic acid

Systemtic Name: 4-[[2-butyl-5-[(Z)-3-oxidanyl-3-oxidanylidene-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]naphthalene-1-carboxylic acid Openeye Name: 4-[[2-butyl-5-[(Z)-3-hydroxy-3-oxo-2-(2-thienylmethyl)prop-1-enyl]imidazol-1-yl]methyl]naphthalene-1-carboxylic acid CAS Name: 4-[[2-butyl-5-[(Z)-3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]-1-imidazolyl]methyl]-1-naphthalenecarboxylic acid IUPAC Name: 4-[[2-butyl-5-[(Z)-3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]naphthalene-1-carboxylic acid Traditional Name: 4-[[2-butyl-5-[(Z)-3-hydroxy-3-keto-2-(2-thenyl)prop-1-enyl]imidazol-1-yl]methyl]-1-naphthoic acid Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C3=CC=CC=C23)C(=O)O)C=C(CC4=CC=CS4)C(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C3=CC=CC=C23)C(=O)O)/C=C(/CC4=CC=CS4)\C(=O)O

InChI

InChI=1S/C27H26N2O4S/c1-2-3-10-25-28-16-20(14-19(26(30)31)15-21-7-6-13-34-21)29(25)17-18-11-12-24(27(32)33)23-9-5-4-8-22(18)23/h4-9,11-14,16H,2-3,10,15,17H2,1H3,(H,30,31)(H,32,33)/b19-14-