3-[(4-bromophenyl)methyl-[(3-phenoxyphenyl)methyl]amino]propanoic acid

Systemtic Name: 3-[(4-bromophenyl)methyl-[(3-phenoxyphenyl)methyl]amino]propanoic acid Openeye Name: 3-[(4-bromophenyl)methyl-[(3-phenoxyphenyl)methyl]amino]propanoic acid CAS Name: 3-[(4-bromophenyl)methyl-[(3-phenoxyphenyl)methyl]amino]propanoic acid IUPAC Name: 3-[(4-bromophenyl)methyl-[(3-phenoxyphenyl)methyl]amino]propanoic acid Traditional Name: 3-[(4-bromobenzyl)-(3-phenoxybenzyl)amino]propionic acid Formula: C23H22BrNO3 MolecularWeight: 440.32968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)CN(CCC(=O)O)CC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)CN(CCC(=O)O)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C23H22BrNO3/c24-20-11-9-18(10-12-20)16-25(14-13-23(26)27)17-19-5-4-8-22(15-19)28-21-6-2-1-3-7-21/h1-12,15H,13-14,16-17H2,(H,26,27)