2-[[2-(4-ethoxycarbonyl-3,5-dimethyl-pyrazol-1-yl)pyridin-3-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[2-(4-ethoxycarbonyl-3,5-dimethyl-pyrazol-1-yl)pyridin-3-yl]carbamoyl]benzoic acid Openeye Name: 2-[[2-(4-ethoxycarbonyl-3,5-dimethyl-pyrazol-1-yl)-3-pyridyl]carbamoyl]benzoic acid CAS Name: 2-[[[2-(4-ethoxycarbonyl-3,5-dimethyl-1-pyrazolyl)-3-pyridinyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[2-(4-ethoxycarbonyl-3,5-dimethylpyrazol-1-yl)pyridin-3-yl]carbamoyl]benzoic acid Traditional Name: 2-[[2-(4-carbethoxy-3,5-dimethyl-pyrazol-1-yl)-3-pyridyl]carbamoyl]benzoic acid Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C)C2=C(C=CC=N2)NC(=O)C3=CC=CC=C3C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)C2=C(C=CC=N2)NC(=O)C3=CC=CC=C3C(=O)O)C

InChI

InChI=1S/C21H20N4O5/c1-4-30-21(29)17-12(2)24-25(13(17)3)18-16(10-7-11-22-18)23-19(26)14-8-5-6-9-15(14)20(27)28/h5-11H,4H2,1-3H3,(H,23,26)(H,27,28)