ethyl 2-[4-[(5-bromanyl-2-phenylmethoxy-phenyl)methylamino]phenyl]butanoate

Systemtic Name: ethyl 2-[4-[(5-bromanyl-2-phenylmethoxy-phenyl)methylamino]phenyl]butanoate Openeye Name: ethyl 2-[4-[(2-benzyloxy-5-bromo-phenyl)methylamino]phenyl]butanoate CAS Name: 2-[4-[(5-bromo-2-phenylmethoxyphenyl)methylamino]phenyl]butanoic acid ethyl ester IUPAC Name: ethyl 2-[4-[(5-bromo-2-phenylmethoxyphenyl)methylamino]phenyl]butanoate Traditional Name: 2-[4-[(2-benzoxy-5-bromo-benzyl)amino]phenyl]butyric acid ethyl ester Formula: C26H28BrNO3 MolecularWeight: 482.40942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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