phenyl 2-[cyano(pyridin-2-yl)methyl]-2-(2,5-dimethylpyrrol-1-yl)butanoate

Systemtic Name: phenyl 2-[cyano(pyridin-2-yl)methyl]-2-(2,5-dimethylpyrrol-1-yl)butanoate Openeye Name: phenyl 2-[cyano(2-pyridyl)methyl]-2-(2,5-dimethylpyrrol-1-yl)butanoate CAS Name: 2-[cyano(2-pyridinyl)methyl]-2-(2,5-dimethyl-1-pyrrolyl)butanoic acid phenyl ester IUPAC Name: phenyl 2-[cyano(pyridin-2-yl)methyl]-2-(2,5-dimethylpyrrol-1-yl)butanoate Traditional Name: 2-[cyano(2-pyridyl)methyl]-2-(2,5-dimethylpyrrol-1-yl)butyric acid phenyl ester Formula: C23H23N3O2 MolecularWeight: 373.44762

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C#N)C1=CC=CC=N1)(C(=O)OC2=CC=CC=C2)N3C(=CC=C3C)C

Isomeric SMILES

CCC(C(C#N)C1=CC=CC=N1)(C(=O)OC2=CC=CC=C2)N3C(=CC=C3C)C

InChI

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