2-[[2-butyl-3-[(4-cyanophenyl)methyl]-1,2-dihydroimidazol-5-yl]methyl]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 2-[[2-butyl-3-[(4-cyanophenyl)methyl]-1,2-dihydroimidazol-5-yl]methyl]-3-thiophen-2-yl-propanoic acid Openeye Name: 2-[[2-butyl-3-[(4-cyanophenyl)methyl]-1,2-dihydroimidazol-5-yl]methyl]-3-(2-thienyl)propanoic acid CAS Name: 2-[[2-butyl-3-[(4-cyanophenyl)methyl]-1,2-dihydroimidazol-5-yl]methyl]-3-thiophen-2-ylpropanoic acid IUPAC Name: 2-[[2-butyl-3-[(4-cyanophenyl)methyl]-1,2-dihydroimidazol-5-yl]methyl]-3-thiophen-2-ylpropanoic acid Traditional Name: 2-[[2-butyl-1-(4-cyanobenzyl)-4-imidazolin-4-yl]methyl]-3-(2-thienyl)propionic acid Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2S/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/h4-5,7-11,16,19,22,25H,2-3,6,12-13,15H2,1H3,(H,27,28)