(E)-3-[2-butyl-3-[(2-methylphenyl)methyl]-1,2-dihydroimidazol-5-yl]-2-(thiophen-2-ylmethyl)prop-2-enoic acid

Systemtic Name: (E)-3-[2-butyl-3-[(2-methylphenyl)methyl]-1,2-dihydroimidazol-5-yl]-2-(thiophen-2-ylmethyl)prop-2-enoic acid Openeye Name: (E)-3-[2-butyl-3-(o-tolylmethyl)-1,2-dihydroimidazol-5-yl]-2-(2-thienylmethyl)prop-2-enoic acid CAS Name: (E)-3-[2-butyl-3-[(2-methylphenyl)methyl]-1,2-dihydroimidazol-5-yl]-2-(thiophen-2-ylmethyl)-2-propenoic acid IUPAC Name: (E)-3-[2-butyl-3-[(2-methylphenyl)methyl]-1,2-dihydroimidazol-5-yl]-2-(thiophen-2-ylmethyl)prop-2-enoic acid Traditional Name: (E)-3-[2-butyl-1-(2-methylbenzyl)-4-imidazolin-4-yl]-2-(2-thenyl)acrylic acid Formula: C23H28N2O2S MolecularWeight: 396.54562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1NC(=CN1CC2=CC=CC=C2C)C=C(CC3=CC=CS3)C(=O)O

Isomeric SMILES

CCCCC1NC(=CN1CC2=CC=CC=C2C)/C=C(\CC3=CC=CS3)/C(=O)O

InChI

InChI=1S/C23H28N2O2S/c1-3-4-11-22-24-20(13-19(23(26)27)14-21-10-7-12-28-21)16-25(22)15-18-9-6-5-8-17(18)2/h5-10,12-13,16,22,24H,3-4,11,14-15H2,1-2H3,(H,26,27)/b19-13+