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

Systemtic Name: (E)-3-[3-[(2-chloranyl-4-pentoxy-phenyl)methyl]-5-ethyl-2-methyl-imidazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[3-[(2-chloro-4-pentoxy-phenyl)methyl]-5-ethyl-2-methyl-imidazol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[3-[(2-chloro-4-pentoxyphenyl)methyl]-5-ethyl-2-methyl-4-imidazolyl]-2-propenoic acid IUPAC Name: (E)-3-[3-[(2-chloro-4-pentoxyphenyl)methyl]-5-ethyl-2-methylimidazol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[3-(4-amoxy-2-chloro-benzyl)-5-ethyl-2-methyl-imidazol-4-yl]acrylic acid Formula: C21H27ClN2O3 MolecularWeight: 390.90368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN2O3/c1-4-6-7-12-27-17-9-8-16(18(22)13-17)14-24-15(3)23-19(5-2)20(24)10-11-21(25)26/h8-11,13H,4-7,12,14H2,1-3H3,(H,25,26)/b11-10+