(1-cyanoindolizin-2-yl)methyl 4-(1H-indol-3-yl)butanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 4-(1H-indol-3-yl)butanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 4-(1H-indol-3-yl)butanoate CAS Name: 4-(1H-indol-3-yl)butanoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 4-(1H-indol-3-yl)butanoate Traditional Name: 4-(1H-indol-3-yl)butyric acid (1-cyanoindolizin-2-yl)methyl ester Formula: C22H19N3O2 MolecularWeight: 357.40516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCCC(=O)OCC3=CN4C=CC=CC4=C3C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCCC(=O)OCC3=CN4C=CC=CC4=C3C#N

InChI

InChI=1S/C22H19N3O2/c23-12-19-17(14-25-11-4-3-9-21(19)25)15-27-22(26)10-5-6-16-13-24-20-8-2-1-7-18(16)20/h1-4,7-9,11,13-14,24H,5-6,10,15H2