4-(2-methylphenyl)-2-[2-(1H-pyrazol-5-yl)-5-(thiophen-3-ylmethoxy)phenoxy]butanoic acid

Systemtic Name: 4-(2-methylphenyl)-2-[2-(1H-pyrazol-5-yl)-5-(thiophen-3-ylmethoxy)phenoxy]butanoic acid Openeye Name: 4-(o-tolyl)-2-[2-(1H-pyrazol-5-yl)-5-(3-thienylmethoxy)phenoxy]butanoic acid CAS Name: 4-(2-methylphenyl)-2-[2-(1H-pyrazol-5-yl)-5-(3-thiophenylmethoxy)phenoxy]butanoic acid IUPAC Name: 4-(2-methylphenyl)-2-[2-(1H-pyrazol-5-yl)-5-(thiophen-3-ylmethoxy)phenoxy]butanoic acid Traditional Name: 4-(o-tolyl)-2-[2-(1H-pyrazol-5-yl)-5-(3-thenyloxy)phenoxy]butyric acid Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC(C(=O)O)OC2=C(C=CC(=C2)OCC3=CSC=C3)C4=CC=NN4

Isomeric SMILES

CC1=CC=CC=C1CCC(C(=O)O)OC2=C(C=CC(=C2)OCC3=CSC=C3)C4=CC=NN4

InChI

InChI=1S/C25H24N2O4S/c1-17-4-2-3-5-19(17)6-9-23(25(28)29)31-24-14-20(30-15-18-11-13-32-16-18)7-8-21(24)22-10-12-26-27-22/h2-5,7-8,10-14,16,23H,6,9,15H2,1H3,(H,26,27)(H,28,29)