(E)-3-[2-butyl-3-[(4-cyanophenyl)methyl]-1,2-dihydroimidazol-5-yl]-2-(thiophen-2-ylmethyl)prop-2-enoic acid

Systemtic Name: (E)-3-[2-butyl-3-[(4-cyanophenyl)methyl]-1,2-dihydroimidazol-5-yl]-2-(thiophen-2-ylmethyl)prop-2-enoic acid Openeye Name: (E)-3-[2-butyl-3-[(4-cyanophenyl)methyl]-1,2-dihydroimidazol-5-yl]-2-(2-thienylmethyl)prop-2-enoic acid CAS Name: (E)-3-[2-butyl-3-[(4-cyanophenyl)methyl]-1,2-dihydroimidazol-5-yl]-2-(thiophen-2-ylmethyl)-2-propenoic acid IUPAC Name: (E)-3-[2-butyl-3-[(4-cyanophenyl)methyl]-1,2-dihydroimidazol-5-yl]-2-(thiophen-2-ylmethyl)prop-2-enoic acid Traditional Name: (E)-3-[2-butyl-1-(4-cyanobenzyl)-4-imidazolin-4-yl]-2-(2-thenyl)acrylic acid Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1NC(=CN1CC2=CC=C(C=C2)C#N)C=C(CC3=CC=CS3)C(=O)O

Isomeric SMILES

CCCCC1NC(=CN1CC2=CC=C(C=C2)C#N)/C=C(\CC3=CC=CS3)/C(=O)O

InChI

InChI=1S/C23H25N3O2S/c1-2-3-6-22-25-20(12-19(23(27)28)13-21-5-4-11-29-21)16-26(22)15-18-9-7-17(14-24)8-10-18/h4-5,7-12,16,22,25H,2-3,6,13,15H2,1H3,(H,27,28)/b19-12+