3-[3-(4-ethylphenyl)-4-methanoyl-pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[3-(4-ethylphenyl)-4-methanoyl-pyrazol-1-yl]propanoic acid Openeye Name: 3-[3-(4-ethylphenyl)-4-formyl-pyrazol-1-yl]propanoic acid CAS Name: 3-[3-(4-ethylphenyl)-4-formyl-1-pyrazolyl]propanoic acid IUPAC Name: 3-[3-(4-ethylphenyl)-4-formylpyrazol-1-yl]propanoic acid Traditional Name: 3-[3-(4-ethylphenyl)-4-formyl-pyrazol-1-yl]propionic acid Formula: C15H16N2O3 MolecularWeight: 272.29914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C=C2C=O)CCC(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C=C2C=O)CCC(=O)O

InChI

InChI=1S/C15H16N2O3/c1-2-11-3-5-12(6-4-11)15-13(10-18)9-17(16-15)8-7-14(19)20/h3-6,9-10H,2,7-8H2,1H3,(H,19,20)