(1-cyanoindolizin-2-yl)methyl 4-benzamidobutanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 4-benzamidobutanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 4-benzamidobutanoate CAS Name: 4-benzamidobutanoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 4-benzamidobutanoate Traditional Name: 4-benzamidobutyric acid (1-cyanoindolizin-2-yl)methyl ester Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCCCC(=O)OCC2=CN3C=CC=CC3=C2C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCCCC(=O)OCC2=CN3C=CC=CC3=C2C#N

InChI

InChI=1S/C21H19N3O3/c22-13-18-17(14-24-12-5-4-9-19(18)24)15-27-20(25)10-6-11-23-21(26)16-7-2-1-3-8-16/h1-5,7-9,12,14H,6,10-11,15H2,(H,23,26)