(1-cyanoindolizin-2-yl)methyl (2S)-2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl (2S)-2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl (2S)-2-[(4-methoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-methoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-3-methyl-2-(p-anisoylamino)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)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CN2C=CC=CC2=C1C#N)NC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H23N3O4/c1-15(2)21(25-22(27)16-7-9-18(29-3)10-8-16)23(28)30-14-17-13-26-11-5-4-6-20(26)19(17)12-24/h4-11,13,15,21H,14H2,1-3H3,(H,25,27)/t21-/m0/s1