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

Systemtic Name: 4-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methylamino]benzoic acid Openeye Name: 4-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methylamino]benzoic acid CAS Name: 4-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]benzoic acid IUPAC Name: 4-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]benzoic acid Traditional Name: 4-[[4-(4-chlorobenzyl)oxy-3-methoxy-benzyl]amino]benzoic acid Formula: C22H20ClNO4 MolecularWeight: 397.8515

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC2=CC=C(C=C2)C(=O)O)OCC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)CNC2=CC=C(C=C2)C(=O)O)OCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H20ClNO4/c1-27-21-12-16(13-24-19-9-5-17(6-10-19)22(25)26)4-11-20(21)28-14-15-2-7-18(23)8-3-15/h2-12,24H,13-14H2,1H3,(H,25,26)