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

Systemtic Name: 4-(2-methylphenyl)-4-[2-pyridin-2-yl-5-(thiophen-3-ylmethoxy)phenoxy]butanoic acid Openeye Name: 4-(o-tolyl)-4-[2-(2-pyridyl)-5-(3-thienylmethoxy)phenoxy]butanoic acid CAS Name: 4-(2-methylphenyl)-4-[2-(2-pyridinyl)-5-(3-thiophenylmethoxy)phenoxy]butanoic acid IUPAC Name: 4-(2-methylphenyl)-4-[2-pyridin-2-yl-5-(thiophen-3-ylmethoxy)phenoxy]butanoic acid Traditional Name: 4-(o-tolyl)-4-[2-(2-pyridyl)-5-(3-thenyloxy)phenoxy]butyric acid Formula: C27H25NO4S MolecularWeight: 459.5567

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCC(=O)O)OC2=C(C=CC(=C2)OCC3=CSC=C3)C4=CC=CC=N4

Isomeric SMILES

CC1=CC=CC=C1C(CCC(=O)O)OC2=C(C=CC(=C2)OCC3=CSC=C3)C4=CC=CC=N4

InChI

InChI=1S/C27H25NO4S/c1-19-6-2-3-7-22(19)25(11-12-27(29)30)32-26-16-21(31-17-20-13-15-33-18-20)9-10-23(26)24-8-4-5-14-28-24/h2-10,13-16,18,25H,11-12,17H2,1H3,(H,29,30)