(1-cyanoindolizin-2-yl)methyl 3-benzamidobutanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 3-benzamidobutanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 3-benzamidobutanoate CAS Name: 3-benzamidobutanoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 3-benzamidobutanoate Traditional Name: 3-benzamidobutyric acid (1-cyanoindolizin-2-yl)methyl ester Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCC1=CN2C=CC=CC2=C1C#N)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(CC(=O)OCC1=CN2C=CC=CC2=C1C#N)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H19N3O3/c1-15(23-21(26)16-7-3-2-4-8-16)11-20(25)27-14-17-13-24-10-6-5-9-19(24)18(17)12-22/h2-10,13,15H,11,14H2,1H3,(H,23,26)