2-[4-[(5-bromanyl-2-phenylmethoxy-phenyl)methylamino]phenyl]butanoic acid

Systemtic Name: 2-[4-[(5-bromanyl-2-phenylmethoxy-phenyl)methylamino]phenyl]butanoic acid Openeye Name: 2-[4-[(2-benzyloxy-5-bromo-phenyl)methylamino]phenyl]butanoic acid CAS Name: 2-[4-[(5-bromo-2-phenylmethoxyphenyl)methylamino]phenyl]butanoic acid IUPAC Name: 2-[4-[(5-bromo-2-phenylmethoxyphenyl)methylamino]phenyl]butanoic acid Traditional Name: 2-[4-[(2-benzoxy-5-bromo-benzyl)amino]phenyl]butyric acid Formula: C24H24BrNO3 MolecularWeight: 454.35626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24BrNO3/c1-2-22(24(27)28)18-8-11-21(12-9-18)26-15-19-14-20(25)10-13-23(19)29-16-17-6-4-3-5-7-17/h3-14,22,26H,2,15-16H2,1H3,(H,27,28)