ethyl 3-azanyl-4-[(5-bromanyl-2-phenylmethoxy-phenyl)methylamino]benzoate

Systemtic Name: ethyl 3-azanyl-4-[(5-bromanyl-2-phenylmethoxy-phenyl)methylamino]benzoate Openeye Name: ethyl 3-amino-4-[(2-benzyloxy-5-bromo-phenyl)methylamino]benzoate CAS Name: 3-amino-4-[(5-bromo-2-phenylmethoxyphenyl)methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 3-amino-4-[(5-bromo-2-phenylmethoxyphenyl)methylamino]benzoate Traditional Name: 3-amino-4-[(2-benzoxy-5-bromo-benzyl)amino]benzoic acid ethyl ester Formula: C23H23BrN2O3 MolecularWeight: 455.34432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23BrN2O3/c1-2-28-23(27)17-8-10-21(20(25)13-17)26-14-18-12-19(24)9-11-22(18)29-15-16-6-4-3-5-7-16/h3-13,26H,2,14-15,25H2,1H3