(2E)-2-[[3-[(2-chloranyl-4-pentoxy-phenyl)methyl]-2-methyl-imidazol-4-yl]methylidene]heptanoate

Systemtic Name: (2E)-2-[[3-[(2-chloranyl-4-pentoxy-phenyl)methyl]-2-methyl-imidazol-4-yl]methylidene]heptanoate Openeye Name: (2E)-2-[[3-[(2-chloro-4-pentoxy-phenyl)methyl]-2-methyl-imidazol-4-yl]methylene]heptanoate CAS Name: (2E)-2-[[3-[(2-chloro-4-pentoxyphenyl)methyl]-2-methyl-4-imidazolyl]methylidene]heptanoate IUPAC Name: (2E)-2-[[3-[(2-chloro-4-pentoxyphenyl)methyl]-2-methylimidazol-4-yl]methylidene]heptanoate Traditional Name: (E)-3-[3-(4-amoxy-2-chloro-benzyl)-2-methyl-imidazol-4-yl]-2-amyl-acrylate Formula: C24H32ClN2O3- MolecularWeight: 431.97548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=CC1=CN=C(N1CC2=C(C=C(C=C2)OCCCCC)Cl)C)C(=O)[O-]

Isomeric SMILES

CCCCC/C(=C\C1=CN=C(N1CC2=C(C=C(C=C2)OCCCCC)Cl)C)/C(=O)[O-]

InChI

InChI=1S/C24H33ClN2O3/c1-4-6-8-10-19(24(28)29)14-21-16-26-18(3)27(21)17-20-11-12-22(15-23(20)25)30-13-9-7-5-2/h11-12,14-16H,4-10,13,17H2,1-3H3,(H,28,29)/p-1/b19-14+