[6-methoxy-7-methyl-5-[(Z)-3-methyl-6-(3-morpholin-4-ylpropoxy)-6-oxidanylidene-hex-2-enyl]-3-oxidanylidene-1H-2-benzofuran-4-yl] adamantane-1-carboxylate hydrochloride

Systemtic Name: [6-methoxy-7-methyl-5-[(Z)-3-methyl-6-(3-morpholin-4-ylpropoxy)-6-oxidanylidene-hex-2-enyl]-3-oxidanylidene-1H-2-benzofuran-4-yl] adamantane-1-carboxylate hydrochloride Openeye Name: [6-methoxy-7-methyl-5-[(Z)-3-methyl-6-(3-morpholinopropoxy)-6-oxo-hex-2-enyl]-3-oxo-1H-isobenzofuran-4-yl] adamantane-1-carboxylate hydrochloride CAS Name: 1-adamantanecarboxylic acid [6-methoxy-7-methyl-5-[(Z)-3-methyl-6-[3-(4-morpholinyl)propoxy]-6-oxohex-2-enyl]-3-oxo-1H-isobenzofuran-4-yl] ester hydrochloride IUPAC Name: [6-methoxy-7-methyl-5-[(Z)-3-methyl-6-(3-morpholin-4-ylpropoxy)-6-oxohex-2-enyl]-3-oxo-1H-2-benzofuran-4-yl] adamantane-1-carboxylate hydrochloride Traditional Name: adamantane-1-carboxylic acid [3-keto-5-[(Z)-6-keto-3-methyl-6-(3-morpholinopropoxy)hex-2-enyl]-6-methoxy-7-methyl-phthalan-4-yl] ester hydrochloride Formula: C35H48ClNO8 MolecularWeight: 646.21052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)OC(=O)C34CC5CC(C3)CC(C5)C4)CC=C(C)CCC(=O)OCCCN6CCOCC6)OC.Cl

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)OC(=O)C34CC5CC(C3)CC(C5)C4)C/C=C(/C)\CCC(=O)OCCCN6CCOCC6)OC.Cl

InChI

InChI=1S/C35H47NO8.ClH/c1-22(6-8-29(37)42-12-4-9-36-10-13-41-14-11-36)5-7-27-31(40-3)23(2)28-21-43-33(38)30(28)32(27)44-34(39)35-18-24-15-25(19-35)17-26(16-24)20-35;/h5,24-26H,4,6-21H2,1-3H3;1H/b22-5-;