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

Systemtic Name: (E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]-1,2-dihydroimidazol-5-yl]-2-(thiophen-2-ylmethyl)prop-2-enoic acid Openeye Name: (E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]-1,2-dihydroimidazol-5-yl]-2-(2-thienylmethyl)prop-2-enoic acid CAS Name: (E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]-1,2-dihydroimidazol-5-yl]-2-(thiophen-2-ylmethyl)-2-propenoic acid IUPAC Name: (E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]-1,2-dihydroimidazol-5-yl]-2-(thiophen-2-ylmethyl)prop-2-enoic acid Traditional Name: (E)-3-[2-butyl-1-(2-chlorobenzyl)-4-imidazolin-4-yl]-2-(2-thenyl)acrylic acid Formula: C22H25ClN2O2S MolecularWeight: 416.9641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1NC(=CN1CC2=CC=CC=C2Cl)C=C(CC3=CC=CS3)C(=O)O

Isomeric SMILES

CCCCC1NC(=CN1CC2=CC=CC=C2Cl)/C=C(\CC3=CC=CS3)/C(=O)O

InChI

InChI=1S/C22H25ClN2O2S/c1-2-3-10-21-24-18(12-17(22(26)27)13-19-8-6-11-28-19)15-25(21)14-16-7-4-5-9-20(16)23/h4-9,11-12,15,21,24H,2-3,10,13-14H2,1H3,(H,26,27)/b17-12+