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

Systemtic Name: 4-[[2-butyl-5-[(E)-3-ethoxy-3-oxidanylidene-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]naphthalene-1-carboxylic acid Openeye Name: 4-[[2-butyl-5-[(E)-3-ethoxy-3-oxo-2-(2-thienylmethyl)prop-1-enyl]imidazol-1-yl]methyl]naphthalene-1-carboxylic acid CAS Name: 4-[[2-butyl-5-[(E)-3-ethoxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]-1-imidazolyl]methyl]-1-naphthalenecarboxylic acid IUPAC Name: 4-[[2-butyl-5-[(E)-3-ethoxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]naphthalene-1-carboxylic acid Traditional Name: 4-[[2-butyl-5-[(E)-3-ethoxy-3-keto-2-(2-thenyl)prop-1-enyl]imidazol-1-yl]methyl]-1-naphthoic acid Formula: C29H30N2O4S MolecularWeight: 502.6245

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C29H30N2O4S/c1-3-5-12-27-30-18-22(16-21(29(34)35-4-2)17-23-9-8-15-36-23)31(27)19-20-13-14-26(28(32)33)25-11-7-6-10-24(20)25/h6-11,13-16,18H,3-5,12,17,19H2,1-2H3,(H,32,33)/b21-16+