4-[4-(5-cyano-3-ethoxycarbonyl-6-methyl-pyridin-2-yl)piperazin-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-(5-cyano-3-ethoxycarbonyl-6-methyl-pyridin-2-yl)piperazin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(5-cyano-3-ethoxycarbonyl-6-methyl-2-pyridyl)piperazin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[4-(5-cyano-3-ethoxycarbonyl-6-methyl-2-pyridinyl)-1-piperazinyl]-4-oxobutanoic acid IUPAC Name: 4-[4-(5-cyano-3-ethoxycarbonyl-6-methylpyridin-2-yl)piperazin-1-yl]-4-oxobutanoic acid Traditional Name: 4-[4-(3-carbethoxy-5-cyano-6-methyl-2-pyridyl)piperazino]-4-keto-butyric acid Formula: C18H22N4O5 MolecularWeight: 374.39108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)C)N2CCN(CC2)C(=O)CCC(=O)O

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)C)N2CCN(CC2)C(=O)CCC(=O)O

InChI

InChI=1S/C18H22N4O5/c1-3-27-18(26)14-10-13(11-19)12(2)20-17(14)22-8-6-21(7-9-22)15(23)4-5-16(24)25/h10H,3-9H2,1-2H3,(H,24,25)