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

Systemtic Name: (E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]but-2-enoic acid Openeye Name: (E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]but-2-enoic acid CAS Name: (E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]-4-imidazolyl]-2-butenoic acid IUPAC Name: (E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]but-2-enoic acid Traditional Name: (E)-3-[2-butyl-3-(2-chlorobenzyl)imidazol-4-yl]but-2-enoic acid Formula: C18H21ClN2O2 MolecularWeight: 332.82454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN2O2/c1-3-4-9-17-20-11-16(13(2)10-18(22)23)21(17)12-14-7-5-6-8-15(14)19/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,22,23)/b13-10+