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

Systemtic Name: [7-(2-methoxyethoxymethoxy)-6-[(E)-6-methoxy-3-methyl-6-oxidanylidene-hex-2-enyl]-4-methyl-1-oxidanylidene-3H-2-benzofuran-5-yl] pyridine-3-carboxylate Openeye Name: [7-(2-methoxyethoxymethoxy)-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-(2-methoxyethoxymethoxy)-6-[(E)-6-methoxy-3-methyl-6-oxohex-2-enyl]-4-methyl-1-oxo-3H-isobenzofuran-5-yl] ester IUPAC Name: [7-(2-methoxyethoxymethoxy)-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 [1-keto-6-[(E)-6-keto-6-methoxy-3-methyl-hex-2-enyl]-7-(2-methoxyethoxymethoxy)-4-methyl-phthalan-5-yl] ester Formula: C27H31NO9 MolecularWeight: 513.53634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31NO9/c1-17(8-10-22(29)33-4)7-9-20-24(37-26(30)19-6-5-11-28-14-19)18(2)21-15-35-27(31)23(21)25(20)36-16-34-13-12-32-3/h5-7,11,14H,8-10,12-13,15-16H2,1-4H3/b17-7+