(1-cyanoindolizin-2-yl)methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: 3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-methyl-butyric acid (1-cyanoindolizin-2-yl)methyl ester Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CN2C=CC=CC2=C1C#N)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)OCC1=CN2C=CC=CC2=C1C#N)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H23N3O4/c1-16(2)21(25-23(28)30-14-17-8-4-3-5-9-17)22(27)29-15-18-13-26-11-7-6-10-20(26)19(18)12-24/h3-11,13,16,21H,14-15H2,1-2H3,(H,25,28)