(1-cyanoindolizin-2-yl)methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C23H19N3O2 MolecularWeight: 369.41586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCC3=CN4C=CC=CC4=C3C#N)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCC3=CN4C=CC=CC4=C3C#N)C

InChI

InChI=1S/C23H19N3O2/c1-16-6-7-17(2)26(16)20-10-8-18(9-11-20)23(27)28-15-19-14-25-12-4-3-5-22(25)21(19)13-24/h3-12,14H,15H2,1-2H3