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

Systemtic Name: (E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-thiophen-3-yl-prop-2-enoic acid Openeye Name: (E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-(3-thienyl)prop-2-enoic acid CAS Name: (E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]-4-imidazolyl]-2-(3-thiophenyl)-2-propenoic acid IUPAC Name: (E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-thiophen-3-ylprop-2-enoic acid Traditional Name: (E)-3-[2-butyl-3-(2-chlorobenzyl)imidazol-4-yl]-2-(3-thienyl)acrylic acid Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O2S/c1-2-3-8-20-23-12-17(11-18(21(25)26)16-9-10-27-14-16)24(20)13-15-6-4-5-7-19(15)22/h4-7,9-12,14H,2-3,8,13H2,1H3,(H,25,26)/b18-11+