(1,1,2,2-tetradeuterio-2-morpholin-4-yl-ethyl) (E)-6-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoate

Systemtic Name: (1,1,2,2-tetradeuterio-2-morpholin-4-yl-ethyl) (E)-6-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoate Openeye Name: (1,1,2,2-tetradeuterio-2-morpholino-ethyl) (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoate CAS Name: (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-4-hexenoic acid [1,1,2,2-tetradeuterio-2-(4-morpholinyl)ethyl] ester IUPAC Name: (1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl) (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate Traditional Name: (E)-6-(4-hydroxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)-4-methyl-hex-4-enoic acid (1,1,2,2-tetradeuterio-2-morpholino-ethyl) ester Formula: C23H31NO7 MolecularWeight: 437.519387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)OCCN3CCOCC3)OC

Isomeric SMILES

[2H]C([2H])(C([2H])([2H])OC(=O)CC/C(=C/CC1=C(C2=C(COC2=O)C(=C1OC)C)O)/C)N3CCOCC3

InChI

InChI=1S/C23H31NO7/c1-15(5-7-19(25)30-13-10-24-8-11-29-12-9-24)4-6-17-21(26)20-18(14-31-23(20)27)16(2)22(17)28-3/h4,26H,5-14H2,1-3H3/b15-4+/i10D2,13D2