3-[3-(furan-2-yl)-1-(phenylmethyl)pyrazol-4-yl]propanoic acid

Systemtic Name: 3-[3-(furan-2-yl)-1-(phenylmethyl)pyrazol-4-yl]propanoic acid Openeye Name: 3-[1-benzyl-3-(2-furyl)pyrazol-4-yl]propanoic acid CAS Name: 3-[3-(2-furanyl)-1-(phenylmethyl)-4-pyrazolyl]propanoic acid IUPAC Name: 3-[1-benzyl-3-(furan-2-yl)pyrazol-4-yl]propanoic acid Traditional Name: 3-[1-benzyl-3-(2-furyl)pyrazol-4-yl]propionic acid Formula: C17H16N2O3 MolecularWeight: 296.32054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CO3)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CO3)CCC(=O)O

InChI

InChI=1S/C17H16N2O3/c20-16(21)9-8-14-12-19(11-13-5-2-1-3-6-13)18-17(14)15-7-4-10-22-15/h1-7,10,12H,8-9,11H2,(H,20,21)