6-[4-(hexylcarbamoyloxy)-6-methoxy-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl]hex-4-enoic acid

Systemtic Name: 6-[4-(hexylcarbamoyloxy)-6-methoxy-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl]hex-4-enoic acid Openeye Name: 6-[4-(hexylcarbamoyloxy)-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl]hex-4-enoic acid CAS Name: 6-[4-[(hexylamino)-oxomethoxy]-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl]-4-hexenoic acid IUPAC Name: 6-[4-(hexylcarbamoyloxy)-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl]hex-4-enoic acid Traditional Name: 6-[4-(hexylcarbamoyloxy)-3-keto-6-methoxy-7-methyl-phthalan-5-yl]hex-4-enoic acid Formula: C23H31NO7 MolecularWeight: 433.49474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)OC1=C(C(=C(C2=C1C(=O)OC2)C)OC)CC=CCCC(=O)O

Isomeric SMILES

CCCCCCNC(=O)OC1=C(C(=C(C2=C1C(=O)OC2)C)OC)CC=CCCC(=O)O

InChI

InChI=1S/C23H31NO7/c1-4-5-6-10-13-24-23(28)31-21-16(11-8-7-9-12-18(25)26)20(29-3)15(2)17-14-30-22(27)19(17)21/h7-8H,4-6,9-14H2,1-3H3,(H,24,28)(H,25,26)