[6-[(E)-6-methoxy-3-methyl-6-oxidanylidene-hex-2-enyl]-4-methyl-7-oxidanyl-1-oxidanylidene-3H-2-benzofuran-5-yl] pyridine-3-carboxylate

Systemtic Name: [6-[(E)-6-methoxy-3-methyl-6-oxidanylidene-hex-2-enyl]-4-methyl-7-oxidanyl-1-oxidanylidene-3H-2-benzofuran-5-yl] pyridine-3-carboxylate Openeye Name: [7-hydroxy-6-[(E)-6-methoxy-3-methyl-6-oxo-hex-2-enyl]-4-methyl-1-oxo-3H-isobenzofuran-5-yl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [7-hydroxy-6-[(E)-6-methoxy-3-methyl-6-oxohex-2-enyl]-4-methyl-1-oxo-3H-isobenzofuran-5-yl] ester IUPAC Name: [7-hydroxy-6-[(E)-6-methoxy-3-methyl-6-oxohex-2-enyl]-4-methyl-1-oxo-3H-2-benzofuran-5-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid [7-hydroxy-1-keto-6-[(E)-6-keto-6-methoxy-3-methyl-hex-2-enyl]-4-methyl-phthalan-5-yl] ester Formula: C23H23NO7 MolecularWeight: 425.43122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)OC)OC(=O)C3=CN=CC=C3

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)O)C/C=C(\C)/CCC(=O)OC)OC(=O)C3=CN=CC=C3

InChI

InChI=1S/C23H23NO7/c1-13(7-9-18(25)29-3)6-8-16-20(26)19-17(12-30-23(19)28)14(2)21(16)31-22(27)15-5-4-10-24-11-15/h4-6,10-11,26H,7-9,12H2,1-3H3/b13-6+