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

Systemtic Name: (1-cyanoindolizin-2-yl)methyl (2S)-2-[(2-ethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-ethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-ethoxybenzoyl)amino]-3-methyl-butyric acid (1-cyanoindolizin-2-yl)methyl ester Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC2=CN3C=CC=CC3=C2C#N

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)OCC2=CN3C=CC=CC3=C2C#N

InChI

InChI=1S/C24H25N3O4/c1-4-30-21-11-6-5-9-18(21)23(28)26-22(16(2)3)24(29)31-15-17-14-27-12-8-7-10-20(27)19(17)13-25/h5-12,14,16,22H,4,15H2,1-3H3,(H,26,28)/t22-/m0/s1