ethyl 2-[[3-[(2-chloranyl-4-pentoxy-phenyl)methyl]-2-ethyl-imidazol-4-yl]-oxidanyl-methyl]heptanoate

Systemtic Name: ethyl 2-[[3-[(2-chloranyl-4-pentoxy-phenyl)methyl]-2-ethyl-imidazol-4-yl]-oxidanyl-methyl]heptanoate Openeye Name: ethyl 2-[[3-[(2-chloro-4-pentoxy-phenyl)methyl]-2-ethyl-imidazol-4-yl]-hydroxy-methyl]heptanoate CAS Name: 2-[[3-[(2-chloro-4-pentoxyphenyl)methyl]-2-ethyl-4-imidazolyl]-hydroxymethyl]heptanoic acid ethyl ester IUPAC Name: ethyl 2-[[3-[(2-chloro-4-pentoxyphenyl)methyl]-2-ethylimidazol-4-yl]-hydroxymethyl]heptanoate Traditional Name: 2-[[3-(4-amoxy-2-chloro-benzyl)-2-ethyl-imidazol-4-yl]-hydroxy-methyl]enanthic acid ethyl ester Formula: C27H41ClN2O4 MolecularWeight: 493.07844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C1=CN=C(N1CC2=C(C=C(C=C2)OCCCCC)Cl)CC)O)C(=O)OCC

Isomeric SMILES

CCCCCC(C(C1=CN=C(N1CC2=C(C=C(C=C2)OCCCCC)Cl)CC)O)C(=O)OCC

InChI

InChI=1S/C27H41ClN2O4/c1-5-9-11-13-22(27(32)33-8-4)26(31)24-18-29-25(7-3)30(24)19-20-14-15-21(17-23(20)28)34-16-12-10-6-2/h14-15,17-18,22,26,31H,5-13,16,19H2,1-4H3