(cyano-phenyl-pyrrolo[2,3-b]pyridin-1-yl-methyl) benzoate

Systemtic Name: (cyano-phenyl-pyrrolo[2,3-b]pyridin-1-yl-methyl) benzoate Openeye Name: (cyano-phenyl-pyrrolo[2,3-b]pyridin-1-yl-methyl) benzoate CAS Name: benzoic acid [cyano-phenyl-(1-pyrrolo[2,3-b]pyridinyl)methyl] ester IUPAC Name: (cyano-phenyl-pyrrolo[2,3-b]pyridin-1-ylmethyl) benzoate Traditional Name: benzoic acid (cyano-phenyl-pyrrolo[2,3-b]pyridin-1-yl-methyl) ester Formula: C22H15N3O2 MolecularWeight: 353.3734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC(C#N)(C2=CC=CC=C2)N3C=CC4=C3N=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC(C#N)(C2=CC=CC=C2)N3C=CC4=C3N=CC=C4

InChI

InChI=1S/C22H15N3O2/c23-16-22(19-11-5-2-6-12-19,27-21(26)18-8-3-1-4-9-18)25-15-13-17-10-7-14-24-20(17)25/h1-15H