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

Systemtic Name: (E)-3-[3-[(2-chloranyl-4-pentoxy-phenyl)methyl]-2-methyl-imidazol-4-yl]-2-methyl-prop-2-enoic acid Openeye Name: (E)-3-[3-[(2-chloro-4-pentoxy-phenyl)methyl]-2-methyl-imidazol-4-yl]-2-methyl-prop-2-enoic acid CAS Name: (E)-3-[3-[(2-chloro-4-pentoxyphenyl)methyl]-2-methyl-4-imidazolyl]-2-methyl-2-propenoic acid IUPAC Name: (E)-3-[3-[(2-chloro-4-pentoxyphenyl)methyl]-2-methylimidazol-4-yl]-2-methylprop-2-enoic acid Traditional Name: (E)-3-[3-(4-amoxy-2-chloro-benzyl)-2-methyl-imidazol-4-yl]-2-methyl-acrylic acid Formula: C20H25ClN2O3 MolecularWeight: 376.8771

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN2O3/c1-4-5-6-9-26-18-8-7-16(19(21)11-18)13-23-15(3)22-12-17(23)10-14(2)20(24)25/h7-8,10-12H,4-6,9,13H2,1-3H3,(H,24,25)/b14-10+