4-[2-[oxan-2-yloxy(phenyl)methyl]-4-oxidanylidene-3-phenylmethoxy-pyridin-1-yl]butanoic acid

Systemtic Name: 4-[2-[oxan-2-yloxy(phenyl)methyl]-4-oxidanylidene-3-phenylmethoxy-pyridin-1-yl]butanoic acid Openeye Name: 4-[3-benzyloxy-4-oxo-2-[phenyl(tetrahydropyran-2-yloxy)methyl]-1-pyridyl]butanoic acid CAS Name: 4-[2-[2-oxanyloxy(phenyl)methyl]-4-oxo-3-phenylmethoxy-1-pyridinyl]butanoic acid IUPAC Name: 4-[2-[oxan-2-yloxy(phenyl)methyl]-4-oxo-3-phenylmethoxypyridin-1-yl]butanoic acid Traditional Name: 4-[3-benzoxy-4-keto-2-[phenyl(tetrahydropyran-2-yloxy)methyl]-1-pyridyl]butyric acid Formula: C28H31NO6 MolecularWeight: 477.54884

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OC(C2=CC=CC=C2)C3=C(C(=O)C=CN3CCCC(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

C1CCOC(C1)OC(C2=CC=CC=C2)C3=C(C(=O)C=CN3CCCC(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H31NO6/c30-23-16-18-29(17-9-14-24(31)32)26(28(23)34-20-21-10-3-1-4-11-21)27(22-12-5-2-6-13-22)35-25-15-7-8-19-33-25/h1-6,10-13,16,18,25,27H,7-9,14-15,17,19-20H2,(H,31,32)