4-[[[5-bromanyl-2-[(4-chlorophenyl)methoxy]phenyl]methylamino]methyl]benzoic acid

Systemtic Name: 4-[[[5-bromanyl-2-[(4-chlorophenyl)methoxy]phenyl]methylamino]methyl]benzoic acid Openeye Name: 4-[[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methylamino]methyl]benzoic acid CAS Name: 4-[[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methylamino]methyl]benzoic acid IUPAC Name: 4-[[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methylamino]methyl]benzoic acid Traditional Name: 4-[[[5-bromo-2-(4-chlorobenzyl)oxy-benzyl]amino]methyl]benzoic acid Formula: C22H19BrClNO3 MolecularWeight: 460.74816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNCC2=C(C=CC(=C2)Br)OCC3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNCC2=C(C=CC(=C2)Br)OCC3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C22H19BrClNO3/c23-19-7-10-21(28-14-16-3-8-20(24)9-4-16)18(11-19)13-25-12-15-1-5-17(6-2-15)22(26)27/h1-11,25H,12-14H2,(H,26,27)