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

Systemtic Name: tert-butyl benzoate; methyl 4-[[(5-bromanyl-2-phenylmethoxy-phenyl)methylamino]methyl]benzoate Openeye Name: tert-butyl benzoate; methyl 4-[[(2-benzyloxy-5-bromo-phenyl)methylamino]methyl]benzoate CAS Name: benzoic acid tert-butyl ester; 4-[[(5-bromo-2-phenylmethoxyphenyl)methylamino]methyl]benzoic acid methyl ester IUPAC Name: tert-butyl benzoate; methyl 4-[[(5-bromo-2-phenylmethoxyphenyl)methylamino]methyl]benzoate Traditional Name: benzoic acid tert-butyl ester; 4-[[(2-benzoxy-5-bromo-benzyl)amino]methyl]benzoic acid methyl ester Formula: C34H36BrNO5 MolecularWeight: 618.55734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=CC=C1.COC(=O)C1=CC=C(C=C1)CNCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=CC=C1.COC(=O)C1=CC=C(C=C1)CNCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C23H22BrNO3.C11H14O2/c1-27-23(26)19-9-7-17(8-10-19)14-25-15-20-13-21(24)11-12-22(20)28-16-18-5-3-2-4-6-18;1-11(2,3)13-10(12)9-7-5-4-6-8-9/h2-13,25H,14-16H2,1H3;4-8H,1-3H3