4-[[3-cyano-5-(4-dimethylaminophenyl)pyridin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[3-cyano-5-(4-dimethylaminophenyl)pyridin-4-yl]amino]benzoic acid Openeye Name: 4-[[3-cyano-5-(4-dimethylaminophenyl)-4-pyridyl]amino]benzoic acid CAS Name: 4-[[3-cyano-5-(4-dimethylaminophenyl)-4-pyridinyl]amino]benzoic acid IUPAC Name: 4-[[3-cyano-5-(4-dimethylaminophenyl)pyridin-4-yl]amino]benzoic acid Traditional Name: 4-[[3-cyano-5-(4-dimethylaminophenyl)-4-pyridyl]amino]benzoic acid Formula: C21H18N4O2 MolecularWeight: 358.39322

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2=C(C(=CN=C2)C#N)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2=C(C(=CN=C2)C#N)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H18N4O2/c1-25(2)18-9-5-14(6-10-18)19-13-23-12-16(11-22)20(19)24-17-7-3-15(4-8-17)21(26)27/h3-10,12-13H,1-2H3,(H,23,24)(H,26,27)