3-[4-(pyrazol-1-ylmethyl)-2-(2-thiophen-2-ylethoxy)phenyl]propanoic acid

Systemtic Name: 3-[4-(pyrazol-1-ylmethyl)-2-(2-thiophen-2-ylethoxy)phenyl]propanoic acid Openeye Name: 3-[4-(pyrazol-1-ylmethyl)-2-[2-(2-thienyl)ethoxy]phenyl]propanoic acid CAS Name: 3-[4-(1-pyrazolylmethyl)-2-(2-thiophen-2-ylethoxy)phenyl]propanoic acid IUPAC Name: 3-[4-(pyrazol-1-ylmethyl)-2-(2-thiophen-2-ylethoxy)phenyl]propanoic acid Traditional Name: 3-[4-(pyrazol-1-ylmethyl)-2-[2-(2-thienyl)ethoxy]phenyl]propionic acid Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)CC2=CC(=C(C=C2)CCC(=O)O)OCCC3=CC=CS3

Isomeric SMILES

C1=CN(N=C1)CC2=CC(=C(C=C2)CCC(=O)O)OCCC3=CC=CS3

InChI

InChI=1S/C19H20N2O3S/c22-19(23)7-6-16-5-4-15(14-21-10-2-9-20-21)13-18(16)24-11-8-17-3-1-12-25-17/h1-5,9-10,12-13H,6-8,11,14H2,(H,22,23)