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

Systemtic Name: 4-[2-[acetyloxy(phenyl)methyl]-4-oxidanylidene-3-phenylmethoxy-pyridin-1-yl]butanoic acid Openeye Name: 4-[2-[acetoxy(phenyl)methyl]-3-benzyloxy-4-oxo-1-pyridyl]butanoic acid CAS Name: 4-[2-[acetyloxy(phenyl)methyl]-4-oxo-3-phenylmethoxy-1-pyridinyl]butanoic acid IUPAC Name: 4-[2-[acetyloxy(phenyl)methyl]-4-oxo-3-phenylmethoxypyridin-1-yl]butanoic acid Traditional Name: 4-[2-[acetoxy(phenyl)methyl]-3-benzoxy-4-keto-1-pyridyl]butyric acid Formula: C25H25NO6 MolecularWeight: 435.4691

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=CC=CC=C1)C2=C(C(=O)C=CN2CCCC(=O)O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)OC(C1=CC=CC=C1)C2=C(C(=O)C=CN2CCCC(=O)O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H25NO6/c1-18(27)32-24(20-11-6-3-7-12-20)23-25(31-17-19-9-4-2-5-10-19)21(28)14-16-26(23)15-8-13-22(29)30/h2-7,9-12,14,16,24H,8,13,15,17H2,1H3,(H,29,30)