(E)-3-[5-bromanyl-3-[(2-chloranyl-4-pentoxy-phenyl)methyl]-2-methyl-imidazol-4-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[5-bromanyl-3-[(2-chloranyl-4-pentoxy-phenyl)methyl]-2-methyl-imidazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[5-bromo-3-[(2-chloro-4-pentoxy-phenyl)methyl]-2-methyl-imidazol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[5-bromo-3-[(2-chloro-4-pentoxyphenyl)methyl]-2-methyl-4-imidazolyl]-2-propenoic acid IUPAC Name: (E)-3-[5-bromo-3-[(2-chloro-4-pentoxyphenyl)methyl]-2-methylimidazol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[3-(4-amoxy-2-chloro-benzyl)-5-bromo-2-methyl-imidazol-4-yl]acrylic acid Formula: C19H22BrClN2O3 MolecularWeight: 441.74658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC(=C(C=C1)CN2C(=NC(=C2C=CC(=O)O)Br)C)Cl

Isomeric SMILES

CCCCCOC1=CC(=C(C=C1)CN2C(=NC(=C2/C=C/C(=O)O)Br)C)Cl

InChI

InChI=1S/C19H22BrClN2O3/c1-3-4-5-10-26-15-7-6-14(16(21)11-15)12-23-13(2)22-19(20)17(23)8-9-18(24)25/h6-9,11H,3-5,10,12H2,1-2H3,(H,24,25)/b9-8+