(E)-3-[2-butyl-3-(phenylmethyl)imidazol-4-yl]-2-(thiophen-2-ylmethyl)prop-2-enoic acid

Systemtic Name: (E)-3-[2-butyl-3-(phenylmethyl)imidazol-4-yl]-2-(thiophen-2-ylmethyl)prop-2-enoic acid Openeye Name: (E)-3-(3-benzyl-2-butyl-imidazol-4-yl)-2-(2-thienylmethyl)prop-2-enoic acid CAS Name: (E)-3-[2-butyl-3-(phenylmethyl)-4-imidazolyl]-2-(thiophen-2-ylmethyl)-2-propenoic acid IUPAC Name: (E)-3-(3-benzyl-2-butylimidazol-4-yl)-2-(thiophen-2-ylmethyl)prop-2-enoic acid Traditional Name: (E)-3-(3-benzyl-2-butyl-imidazol-4-yl)-2-(2-thenyl)acrylic acid Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O2S/c1-2-3-11-21-23-15-19(24(21)16-17-8-5-4-6-9-17)13-18(22(25)26)14-20-10-7-12-27-20/h4-10,12-13,15H,2-3,11,14,16H2,1H3,(H,25,26)/b18-13+