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

Systemtic Name: 3-[4-(pyrazol-1-ylmethyl)-2-(2-thiophen-3-ylethoxy)phenyl]propanoic acid Openeye Name: 3-[4-(pyrazol-1-ylmethyl)-2-[2-(3-thienyl)ethoxy]phenyl]propanoic acid CAS Name: 3-[4-(1-pyrazolylmethyl)-2-[2-(3-thiophenyl)ethoxy]phenyl]propanoic acid IUPAC Name: 3-[4-(pyrazol-1-ylmethyl)-2-(2-thiophen-3-ylethoxy)phenyl]propanoic acid Traditional Name: 3-[4-(pyrazol-1-ylmethyl)-2-[2-(3-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=CSC=C3

Isomeric SMILES

C1=CN(N=C1)CC2=CC(=C(C=C2)CCC(=O)O)OCCC3=CSC=C3

InChI

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