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

Systemtic Name: methyl 1-(bromomethyl)-2-methyl-1-oxidanyl-6-[1-[1-(triphenylmethyl)imidazol-4-yl]propyl]naphthalene-2-carboxylate Openeye Name: methyl 1-(bromomethyl)-1-hydroxy-2-methyl-6-[1-(1-tritylimidazol-4-yl)propyl]naphthalene-2-carboxylate CAS Name: 1-(bromomethyl)-1-hydroxy-2-methyl-6-[1-[1-(triphenylmethyl)-4-imidazolyl]propyl]-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 1-(bromomethyl)-1-hydroxy-2-methyl-6-[1-(1-tritylimidazol-4-yl)propyl]naphthalene-2-carboxylate Traditional Name: 1-(bromomethyl)-1-hydroxy-2-methyl-6-[1-(1-tritylimidazol-4-yl)propyl]naphthalene-2-carboxylic acid methyl ester Formula: C39H37BrN2O3 MolecularWeight: 661.62668

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(C=C1)C(C(C=C2)(C)C(=O)OC)(CBr)O)C3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCC(C1=CC2=C(C=C1)C(C(C=C2)(C)C(=O)OC)(CBr)O)C3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C39H37BrN2O3/c1-4-33(28-20-21-34-29(24-28)22-23-37(2,36(43)45-3)38(34,44)26-40)35-25-42(27-41-35)39(30-14-8-5-9-15-30,31-16-10-6-11-17-31)32-18-12-7-13-19-32/h5-25,27,33,44H,4,26H2,1-3H3