4-[[[3-bromanyl-4-[(4-chlorophenyl)methoxy]-5-methoxy-phenyl]methylamino]methyl]benzoic acid

Systemtic Name: 4-[[[3-bromanyl-4-[(4-chlorophenyl)methoxy]-5-methoxy-phenyl]methylamino]methyl]benzoic acid Openeye Name: 4-[[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxy-phenyl]methylamino]methyl]benzoic acid CAS Name: 4-[[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]methyl]benzoic acid IUPAC Name: 4-[[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]methyl]benzoic acid Traditional Name: 4-[[[3-bromo-4-(4-chlorobenzyl)oxy-5-methoxy-benzyl]amino]methyl]benzoic acid Formula: C23H21BrClNO4 MolecularWeight: 490.77414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNCC2=CC=C(C=C2)C(=O)O)Br)OCC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C(=CC(=C1)CNCC2=CC=C(C=C2)C(=O)O)Br)OCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H21BrClNO4/c1-29-21-11-17(13-26-12-15-2-6-18(7-3-15)23(27)28)10-20(24)22(21)30-14-16-4-8-19(25)9-5-16/h2-11,26H,12-14H2,1H3,(H,27,28)