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

Systemtic Name: ethyl 3-[3-[(2-chloranyl-4-pentoxy-phenyl)methyl]-2-methyl-imidazol-4-yl]-2-methyl-3-oxidanyl-propanoate Openeye Name: ethyl 3-[3-[(2-chloro-4-pentoxy-phenyl)methyl]-2-methyl-imidazol-4-yl]-3-hydroxy-2-methyl-propanoate CAS Name: 3-[3-[(2-chloro-4-pentoxyphenyl)methyl]-2-methyl-4-imidazolyl]-3-hydroxy-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[3-[(2-chloro-4-pentoxyphenyl)methyl]-2-methylimidazol-4-yl]-3-hydroxy-2-methylpropanoate Traditional Name: 3-[3-(4-amoxy-2-chloro-benzyl)-2-methyl-imidazol-4-yl]-3-hydroxy-2-methyl-propionic acid ethyl ester Formula: C22H31ClN2O4 MolecularWeight: 422.94554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31ClN2O4/c1-5-7-8-11-29-18-10-9-17(19(23)12-18)14-25-16(4)24-13-20(25)21(26)15(3)22(27)28-6-2/h9-10,12-13,15,21,26H,5-8,11,14H2,1-4H3