3-[(3-azanylphenoxy)methyl]-5-(3-cyanophenyl)benzoic acid

Systemtic Name: 3-[(3-azanylphenoxy)methyl]-5-(3-cyanophenyl)benzoic acid Openeye Name: 3-[(3-aminophenoxy)methyl]-5-(3-cyanophenyl)benzoic acid CAS Name: 3-[(3-aminophenoxy)methyl]-5-(3-cyanophenyl)benzoic acid IUPAC Name: 3-[(3-aminophenoxy)methyl]-5-(3-cyanophenyl)benzoic acid Traditional Name: 3-[(3-aminophenoxy)methyl]-5-(3-cyanophenyl)benzoic acid Formula: C21H16N2O3 MolecularWeight: 344.36334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C2=CC(=CC(=C2)COC3=CC=CC(=C3)N)C(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C2=CC(=CC(=C2)COC3=CC=CC(=C3)N)C(=O)O)C#N

InChI

InChI=1S/C21H16N2O3/c22-12-14-3-1-4-16(7-14)17-8-15(9-18(10-17)21(24)25)13-26-20-6-2-5-19(23)11-20/h1-11H,13,23H2,(H,24,25)