[6-[(E)-6-methoxy-3-methyl-6-oxidanylidene-hex-2-enyl]-4-methyl-7-oxidanyl-1-oxidanylidene-3H-2-benzofuran-5-yl] pyridine-4-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-4-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-4-carboxylate CAS Name: 4-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-4-carboxylate Traditional Name: isonicotinic 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=CC=NC=C3

Isomeric SMILES

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

InChI

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