2-[2-methoxy-3-(phenylmethoxymethyl)-6-propoxycarbonyl-pyridin-4-yl]-2-oxidanyl-butanoic acid

Systemtic Name: 2-[2-methoxy-3-(phenylmethoxymethyl)-6-propoxycarbonyl-pyridin-4-yl]-2-oxidanyl-butanoic acid Openeye Name: 2-[3-(benzyloxymethyl)-2-methoxy-6-propoxycarbonyl-4-pyridyl]-2-hydroxy-butanoic acid CAS Name: 2-hydroxy-2-[2-methoxy-6-[oxo(propoxy)methyl]-3-(phenylmethoxymethyl)-4-pyridinyl]butanoic acid IUPAC Name: 2-hydroxy-2-[2-methoxy-3-(phenylmethoxymethyl)-6-propoxycarbonylpyridin-4-yl]butanoic acid Traditional Name: 2-[3-(benzoxymethyl)-2-methoxy-6-propoxycarbonyl-4-pyridyl]-2-hydroxy-butyric acid Formula: C22H27NO7 MolecularWeight: 417.45228

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=NC(=C(C(=C1)C(CC)(C(=O)O)O)COCC2=CC=CC=C2)OC

Isomeric SMILES

CCCOC(=O)C1=NC(=C(C(=C1)C(CC)(C(=O)O)O)COCC2=CC=CC=C2)OC

InChI

InChI=1S/C22H27NO7/c1-4-11-30-20(24)18-12-17(22(27,5-2)21(25)26)16(19(23-18)28-3)14-29-13-15-9-7-6-8-10-15/h6-10,12,27H,4-5,11,13-14H2,1-3H3,(H,25,26)