3-(3-cyanophenyl)-5-[[4-(methylamino)phenoxy]methyl]benzoic acid

Systemtic Name: 3-(3-cyanophenyl)-5-[[4-(methylamino)phenoxy]methyl]benzoic acid Openeye Name: 3-(3-cyanophenyl)-5-[[4-(methylamino)phenoxy]methyl]benzoic acid CAS Name: 3-(3-cyanophenyl)-5-[[4-(methylamino)phenoxy]methyl]benzoic acid IUPAC Name: 3-(3-cyanophenyl)-5-[[4-(methylamino)phenoxy]methyl]benzoic acid Traditional Name: 3-(3-cyanophenyl)-5-[[4-(methylamino)phenoxy]methyl]benzoic acid Formula: C22H18N2O3 MolecularWeight: 358.38992

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=C(C=C1)OCC2=CC(=CC(=C2)C(=O)O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CNC1=CC=C(C=C1)OCC2=CC(=CC(=C2)C(=O)O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C22H18N2O3/c1-24-20-5-7-21(8-6-20)27-14-16-10-18(12-19(11-16)22(25)26)17-4-2-3-15(9-17)13-23/h2-12,24H,14H2,1H3,(H,25,26)