3-[5-[(4-ethoxycarbonyl-2-methyl-pyrazol-3-yl)carbamoyl]pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[5-[(4-ethoxycarbonyl-2-methyl-pyrazol-3-yl)carbamoyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[5-[(4-ethoxycarbonyl-2-methyl-pyrazol-3-yl)carbamoyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[5-[[(4-ethoxycarbonyl-2-methyl-3-pyrazolyl)amino]-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[5-[(4-ethoxycarbonyl-2-methylpyrazol-3-yl)carbamoyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[5-[(4-carbethoxy-2-methyl-pyrazol-3-yl)carbamoyl]pyrazol-1-yl]propionic acid Formula: C14H17N5O5 MolecularWeight: 335.31528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C)NC(=O)C2=CC=NN2CCC(=O)O

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C)NC(=O)C2=CC=NN2CCC(=O)O

InChI

InChI=1S/C14H17N5O5/c1-3-24-14(23)9-8-16-18(2)12(9)17-13(22)10-4-6-15-19(10)7-5-11(20)21/h4,6,8H,3,5,7H2,1-2H3,(H,17,22)(H,20,21)