4-[[2-(4-ethoxycarbonyl-3,5-dimethyl-pyrazol-1-yl)pyridin-3-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[2-(4-ethoxycarbonyl-3,5-dimethyl-pyrazol-1-yl)pyridin-3-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[2-(4-ethoxycarbonyl-3,5-dimethyl-pyrazol-1-yl)-3-pyridyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[2-(4-ethoxycarbonyl-3,5-dimethyl-1-pyrazolyl)-3-pyridinyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[2-(4-ethoxycarbonyl-3,5-dimethylpyrazol-1-yl)pyridin-3-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[2-(4-carbethoxy-3,5-dimethyl-pyrazol-1-yl)-3-pyridyl]amino]-4-keto-butyric acid Formula: C17H20N4O5 MolecularWeight: 360.3645

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C)C2=C(C=CC=N2)NC(=O)CCC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)C2=C(C=CC=N2)NC(=O)CCC(=O)O)C

InChI

InChI=1S/C17H20N4O5/c1-4-26-17(25)15-10(2)20-21(11(15)3)16-12(6-5-9-18-16)19-13(22)7-8-14(23)24/h5-6,9H,4,7-8H2,1-3H3,(H,19,22)(H,23,24)