methyl 4-[(1-cyano-4,4-dimethyl-pentyl)amino]-4-oxidanylidene-3-[[(propan-2-yloxycarbonylamino)-pyridin-3-yl-methylidene]amino]butanoate

Systemtic Name: methyl 4-[(1-cyano-4,4-dimethyl-pentyl)amino]-4-oxidanylidene-3-[[(propan-2-yloxycarbonylamino)-pyridin-3-yl-methylidene]amino]butanoate Openeye Name: methyl 4-[(1-cyano-4,4-dimethyl-pentyl)amino]-3-[[(isopropoxycarbonylamino)-(3-pyridyl)methylene]amino]-4-oxo-butanoate CAS Name: 4-[(1-cyano-4,4-dimethylpentyl)amino]-4-oxo-3-[[[[oxo(propan-2-yloxy)methyl]amino]-(3-pyridinyl)methylidene]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(1-cyano-4,4-dimethylpentyl)amino]-4-oxo-3-[[(propan-2-yloxycarbonylamino)-pyridin-3-ylmethylidene]amino]butanoate Traditional Name: 4-[(1-cyano-4,4-dimethyl-pentyl)amino]-3-[[(isopropoxycarbonylamino)-(3-pyridyl)methylene]amino]-4-keto-butyric acid methyl ester Formula: C23H33N5O5 MolecularWeight: 459.53862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)NC(=NC(CC(=O)OC)C(=O)NC(CCC(C)(C)C)C#N)C1=CN=CC=C1

Isomeric SMILES

CC(C)OC(=O)NC(=NC(CC(=O)OC)C(=O)NC(CCC(C)(C)C)C#N)C1=CN=CC=C1

InChI

InChI=1S/C23H33N5O5/c1-15(2)33-22(31)28-20(16-8-7-11-25-14-16)27-18(12-19(29)32-6)21(30)26-17(13-24)9-10-23(3,4)5/h7-8,11,14-15,17-18H,9-10,12H2,1-6H3,(H,26,30)(H,27,28,31)