(Z)-2-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-4-thiophen-3-yl-but-2-enoic acid

Systemtic Name: (Z)-2-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-4-thiophen-3-yl-but-2-enoic acid Openeye Name: (Z)-2-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-4-(3-thienyl)but-2-enoic acid CAS Name: (Z)-2-[2-butyl-3-[(2-chlorophenyl)methyl]-4-imidazolyl]-4-(3-thiophenyl)-2-butenoic acid IUPAC Name: (Z)-2-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-4-thiophen-3-ylbut-2-enoic acid Traditional Name: (Z)-2-[2-butyl-3-(2-chlorobenzyl)imidazol-4-yl]-4-(3-thienyl)but-2-enoic acid Formula: C22H23ClN2O2S MolecularWeight: 414.94822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)C(=CCC3=CSC=C3)C(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)/C(=C/CC3=CSC=C3)/C(=O)O

InChI

InChI=1S/C22H23ClN2O2S/c1-2-3-8-21-24-13-20(25(21)14-17-6-4-5-7-19(17)23)18(22(26)27)10-9-16-11-12-28-15-16/h4-7,10-13,15H,2-3,8-9,14H2,1H3,(H,26,27)/b18-10-