tert-butyl 4-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-methyl-amino]benzoate

Systemtic Name: tert-butyl 4-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-methyl-amino]benzoate Openeye Name: tert-butyl 4-[(2-benzyloxy-5-bromo-phenyl)methyl-methyl-amino]benzoate CAS Name: 4-[(5-bromo-2-phenylmethoxyphenyl)methyl-methylamino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(5-bromo-2-phenylmethoxyphenyl)methyl-methylamino]benzoate Traditional Name: 4-[(2-benzoxy-5-bromo-benzyl)-methyl-amino]benzoic acid tert-butyl ester Formula: C26H28BrNO3 MolecularWeight: 482.40942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)N(C)CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)N(C)CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C26H28BrNO3/c1-26(2,3)31-25(29)20-10-13-23(14-11-20)28(4)17-21-16-22(27)12-15-24(21)30-18-19-8-6-5-7-9-19/h5-16H,17-18H2,1-4H3