(1-cyanoindolizin-2-yl)methyl 2-[(4-methylphenyl)carbonylamino]ethanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-[(4-methylphenyl)carbonylamino]ethanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-[(4-methylbenzoyl)amino]acetate CAS Name: 2-[[(4-methylphenyl)-oxomethyl]amino]acetic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-[(4-methylbenzoyl)amino]acetate Traditional Name: 2-(p-toluoylamino)acetic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C20H17N3O3 MolecularWeight: 347.36728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CN3C=CC=CC3=C2C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CN3C=CC=CC3=C2C#N

InChI

InChI=1S/C20H17N3O3/c1-14-5-7-15(8-6-14)20(25)22-11-19(24)26-13-16-12-23-9-3-2-4-18(23)17(16)10-21/h2-9,12H,11,13H2,1H3,(H,22,25)