2-morpholin-4-ylethyl (Z)-6-[4-(2,2-dimethylpropanoyloxy)-6-methoxy-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl]-4-methyl-hex-4-enoate hydrochloride

Systemtic Name: 2-morpholin-4-ylethyl (Z)-6-[4-(2,2-dimethylpropanoyloxy)-6-methoxy-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl]-4-methyl-hex-4-enoate hydrochloride Openeye Name: 2-morpholinoethyl (Z)-6-[4-(2,2-dimethylpropanoyloxy)-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl]-4-methyl-hex-4-enoate hydrochloride CAS Name: (Z)-6-[4-(2,2-dimethyl-1-oxopropoxy)-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl]-4-methyl-4-hexenoic acid 2-(4-morpholinyl)ethyl ester hydrochloride IUPAC Name: 2-morpholin-4-ylethyl (Z)-6-[4-(2,2-dimethylpropanoyloxy)-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate hydrochloride Traditional Name: (Z)-6-(3-keto-6-methoxy-7-methyl-4-pivaloyloxy-phthalan-5-yl)-4-methyl-hex-4-enoic acid 2-morpholinoethyl ester hydrochloride Formula: C28H40ClNO8 MolecularWeight: 554.0721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)OC(=O)C(C)(C)C)C/C=C(/C)\CCC(=O)OCCN3CCOCC3)OC.Cl

InChI

InChI=1S/C28H39NO8.ClH/c1-18(8-10-22(30)35-16-13-29-11-14-34-15-12-29)7-9-20-24(33-6)19(2)21-17-36-26(31)23(21)25(20)37-27(32)28(3,4)5;/h7H,8-17H2,1-6H3;1H/b18-7-;