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

Systemtic Name: 3-[3-[5-cyano-4-(1H-indol-5-ylamino)pyridin-3-yl]phenyl]benzoic acid Openeye Name: 3-[3-[5-cyano-4-(1H-indol-5-ylamino)-3-pyridyl]phenyl]benzoic acid CAS Name: 3-[3-[5-cyano-4-(1H-indol-5-ylamino)-3-pyridinyl]phenyl]benzoic acid IUPAC Name: 3-[3-[5-cyano-4-(1H-indol-5-ylamino)pyridin-3-yl]phenyl]benzoic acid Traditional Name: 3-[3-[5-cyano-4-(1H-indol-5-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=CC4=C(C=C3)NC=C4)C5=CC(=CC=C5)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C2=C(C(=CN=C2)C#N)NC3=CC4=C(C=C3)NC=C4)C5=CC(=CC=C5)C(=O)O

InChI

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