[3-[6-(2,5-dimethylpyrrol-2-yl)pyridin-2-yl]phenyl] 2-(cyanomethyl)butanoate

Systemtic Name: [3-[6-(2,5-dimethylpyrrol-2-yl)pyridin-2-yl]phenyl] 2-(cyanomethyl)butanoate Openeye Name: [3-[6-(2,5-dimethylpyrrol-2-yl)-2-pyridyl]phenyl] 2-(cyanomethyl)butanoate CAS Name: 2-(cyanomethyl)butanoic acid [3-[6-(2,5-dimethyl-2-pyrrolyl)-2-pyridinyl]phenyl] ester IUPAC Name: [3-[6-(2,5-dimethylpyrrol-2-yl)pyridin-2-yl]phenyl] 2-(cyanomethyl)butanoate Traditional Name: 2-(cyanomethyl)butyric acid [3-[6-(2,5-dimethylpyrrol-2-yl)-2-pyridyl]phenyl] ester Formula: C23H23N3O2 MolecularWeight: 373.44762

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC#N)C(=O)OC1=CC=CC(=C1)C2=NC(=CC=C2)C3(C=CC(=N3)C)C

Isomeric SMILES

CCC(CC#N)C(=O)OC1=CC=CC(=C1)C2=NC(=CC=C2)C3(C=CC(=N3)C)C

InChI

InChI=1S/C23H23N3O2/c1-4-17(12-14-24)22(27)28-19-8-5-7-18(15-19)20-9-6-10-21(25-20)23(3)13-11-16(2)26-23/h5-11,13,15,17H,4,12H2,1-3H3