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

Systemtic Name: (E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]hept-2-enoic acid Openeye Name: (E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]hept-2-enoic acid CAS Name: (E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]-4-imidazolyl]-2-heptenoic acid IUPAC Name: (E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]hept-2-enoic acid Traditional Name: (E)-3-[2-butyl-3-(2-chlorobenzyl)imidazol-4-yl]hept-2-enoic acid Formula: C21H27ClN2O2 MolecularWeight: 374.90428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)C(=CC(=O)O)CCCC

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)/C(=C/C(=O)O)/CCCC

InChI

InChI=1S/C21H27ClN2O2/c1-3-5-9-16(13-21(25)26)19-14-23-20(12-6-4-2)24(19)15-17-10-7-8-11-18(17)22/h7-8,10-11,13-14H,3-6,9,12,15H2,1-2H3,(H,25,26)/b16-13+