tert-butyl 3-(bromomethyl)-4-(3-phenylmethoxyphenyl)-2,5-dihydropyrrole-1-carboxylate

Systemtic Name: tert-butyl 3-(bromomethyl)-4-(3-phenylmethoxyphenyl)-2,5-dihydropyrrole-1-carboxylate Openeye Name: tert-butyl 3-(3-benzyloxyphenyl)-4-(bromomethyl)-2,5-dihydropyrrole-1-carboxylate CAS Name: 3-(bromomethyl)-4-(3-phenylmethoxyphenyl)-2,5-dihydropyrrole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(bromomethyl)-4-(3-phenylmethoxyphenyl)-2,5-dihydropyrrole-1-carboxylate Traditional Name: 3-(3-benzoxyphenyl)-4-(bromomethyl)-3-pyrroline-1-carboxylic acid tert-butyl ester Formula: C23H26BrNO3 MolecularWeight: 444.36144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(=C(C1)C2=CC(=CC=C2)OCC3=CC=CC=C3)CBr

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(=C(C1)C2=CC(=CC=C2)OCC3=CC=CC=C3)CBr

InChI

InChI=1S/C23H26BrNO3/c1-23(2,3)28-22(26)25-14-19(13-24)21(15-25)18-10-7-11-20(12-18)27-16-17-8-5-4-6-9-17/h4-12H,13-16H2,1-3H3