2-[3-ethanoyl-4-methyl-2-[3-(pyridin-3-ylmethoxy)phenoxy]phenyl]butanoic acid

Systemtic Name: 2-[3-ethanoyl-4-methyl-2-[3-(pyridin-3-ylmethoxy)phenoxy]phenyl]butanoic acid Openeye Name: 2-[3-acetyl-4-methyl-2-[3-(3-pyridylmethoxy)phenoxy]phenyl]butanoic acid CAS Name: 2-[3-acetyl-4-methyl-2-[3-(3-pyridinylmethoxy)phenoxy]phenyl]butanoic acid IUPAC Name: 2-[3-acetyl-4-methyl-2-[3-(pyridin-3-ylmethoxy)phenoxy]phenyl]butanoic acid Traditional Name: 2-[3-acetyl-4-methyl-2-[3-(3-pyridylmethoxy)phenoxy]phenyl]butyric acid Formula: C25H25NO5 MolecularWeight: 419.4697

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C(=C(C=C1)C)C(=O)C)OC2=CC(=CC=C2)OCC3=CN=CC=C3)C(=O)O

Isomeric SMILES

CCC(C1=C(C(=C(C=C1)C)C(=O)C)OC2=CC(=CC=C2)OCC3=CN=CC=C3)C(=O)O

InChI

InChI=1S/C25H25NO5/c1-4-21(25(28)29)22-11-10-16(2)23(17(3)27)24(22)31-20-9-5-8-19(13-20)30-15-18-7-6-12-26-14-18/h5-14,21H,4,15H2,1-3H3,(H,28,29)