methyl 3-(bromomethyl)-6-[2-methyl-1-oxidanyl-1-[1-(triphenylmethyl)imidazol-4-yl]propyl]naphthalene-2-carboxylate

Systemtic Name: methyl 3-(bromomethyl)-6-[2-methyl-1-oxidanyl-1-[1-(triphenylmethyl)imidazol-4-yl]propyl]naphthalene-2-carboxylate Openeye Name: methyl 3-(bromomethyl)-6-[1-hydroxy-2-methyl-1-(1-tritylimidazol-4-yl)propyl]naphthalene-2-carboxylate CAS Name: 3-(bromomethyl)-6-[1-hydroxy-2-methyl-1-[1-(triphenylmethyl)-4-imidazolyl]propyl]-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 3-(bromomethyl)-6-[1-hydroxy-2-methyl-1-(1-tritylimidazol-4-yl)propyl]naphthalene-2-carboxylate Traditional Name: 3-(bromomethyl)-6-[1-hydroxy-2-methyl-1-(1-tritylimidazol-4-yl)propyl]naphthalene-2-carboxylic acid methyl ester Formula: C39H35BrN2O3 MolecularWeight: 659.6108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=CC(=C(C=C2C=C1)C(=O)OC)CBr)(C3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)O

Isomeric SMILES

CC(C)C(C1=CC2=CC(=C(C=C2C=C1)C(=O)OC)CBr)(C3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)O

InChI

InChI=1S/C39H35BrN2O3/c1-27(2)39(44,34-20-19-28-23-35(37(43)45-3)30(24-40)21-29(28)22-34)36-25-42(26-41-36)38(31-13-7-4-8-14-31,32-15-9-5-10-16-32)33-17-11-6-12-18-33/h4-23,25-27,44H,24H2,1-3H3