4-[3-[5-cyano-4-(1H-indol-4-ylamino)pyridin-3-yl]phenyl]benzoic acid

Systemtic Name: 4-[3-[5-cyano-4-(1H-indol-4-ylamino)pyridin-3-yl]phenyl]benzoic acid Openeye Name: 4-[3-[5-cyano-4-(1H-indol-4-ylamino)-3-pyridyl]phenyl]benzoic acid CAS Name: 4-[3-[5-cyano-4-(1H-indol-4-ylamino)-3-pyridinyl]phenyl]benzoic acid IUPAC Name: 4-[3-[5-cyano-4-(1H-indol-4-ylamino)pyridin-3-yl]phenyl]benzoic acid Traditional Name: 4-[3-[5-cyano-4-(1H-indol-4-ylamino)-3-pyridyl]phenyl]benzoic acid Formula: C27H18N4O2 MolecularWeight: 430.45742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C2=C(C(=CN=C2)C#N)NC3=CC=CC4=C3C=CN4)C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C2=C(C(=CN=C2)C#N)NC3=CC=CC4=C3C=CN4)C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C27H18N4O2/c28-14-21-15-29-16-23(26(21)31-25-6-2-5-24-22(25)11-12-30-24)20-4-1-3-19(13-20)17-7-9-18(10-8-17)27(32)33/h1-13,15-16,30H,(H,29,31)(H,32,33)