3-[1-cyano-6-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxidanylidene-imidazo[1,5-a]pyridin-2-yl]propanoic acid

Systemtic Name: 3-[1-cyano-6-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxidanylidene-imidazo[1,5-a]pyridin-2-yl]propanoic acid Openeye Name: 3-(6-tert-butoxycarbonyl-1-cyano-3-oxo-imidazo[1,5-a]pyridin-2-yl)propanoic acid CAS Name: 3-[1-cyano-6-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-oxo-2-imidazo[1,5-a]pyridinyl]propanoic acid IUPAC Name: 3-[1-cyano-6-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxoimidazo[1,5-a]pyridin-2-yl]propanoic acid Traditional Name: 3-(6-tert-butoxycarbonyl-1-cyano-3-keto-imidazo[1,5-a]pyridin-2-yl)propionic acid Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CN2C(=C(N(C2=O)CCC(=O)O)C#N)C=C1

Isomeric SMILES

CC(C)(C)OC(=O)C1=CN2C(=C(N(C2=O)CCC(=O)O)C#N)C=C1

InChI

InChI=1S/C16H17N3O5/c1-16(2,3)24-14(22)10-4-5-11-12(8-17)18(7-6-13(20)21)15(23)19(11)9-10/h4-5,9H,6-7H2,1-3H3,(H,20,21)