methyl 1-(bromomethyl)-6-[2-methyl-1-(1-methylimidazol-4-yl)-1-oxidanyl-propyl]naphthalene-2-carboxylate

Systemtic Name: methyl 1-(bromomethyl)-6-[2-methyl-1-(1-methylimidazol-4-yl)-1-oxidanyl-propyl]naphthalene-2-carboxylate Openeye Name: methyl 1-(bromomethyl)-6-[1-hydroxy-2-methyl-1-(1-methylimidazol-4-yl)propyl]naphthalene-2-carboxylate CAS Name: 1-(bromomethyl)-6-[1-hydroxy-2-methyl-1-(1-methyl-4-imidazolyl)propyl]-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 1-(bromomethyl)-6-[1-hydroxy-2-methyl-1-(1-methylimidazol-4-yl)propyl]naphthalene-2-carboxylate Traditional Name: 1-(bromomethyl)-6-[1-hydroxy-2-methyl-1-(1-methylimidazol-4-yl)propyl]naphthalene-2-carboxylic acid methyl ester Formula: C21H23BrN2O3 MolecularWeight: 431.32292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)C(=C(C=C2)C(=O)OC)CBr)(C3=CN(C=N3)C)O

Isomeric SMILES

CC(C)C(C1=CC2=C(C=C1)C(=C(C=C2)C(=O)OC)CBr)(C3=CN(C=N3)C)O

InChI

InChI=1S/C21H23BrN2O3/c1-13(2)21(26,19-11-24(3)12-23-19)15-6-8-16-14(9-15)5-7-17(18(16)10-22)20(25)27-4/h5-9,11-13,26H,10H2,1-4H3