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

Systemtic Name: methyl 4-[(5-bromanyl-2-phenylmethoxy-phenyl)methylamino]benzoate Openeye Name: methyl 4-[(2-benzyloxy-5-bromo-phenyl)methylamino]benzoate CAS Name: 4-[(5-bromo-2-phenylmethoxyphenyl)methylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-bromo-2-phenylmethoxyphenyl)methylamino]benzoate Traditional Name: 4-[(2-benzoxy-5-bromo-benzyl)amino]benzoic acid methyl ester Formula: C22H20BrNO3 MolecularWeight: 426.3031

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C22H20BrNO3/c1-26-22(25)17-7-10-20(11-8-17)24-14-18-13-19(23)9-12-21(18)27-15-16-5-3-2-4-6-16/h2-13,24H,14-15H2,1H3