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

Systemtic Name: [6-methoxy-7-methyl-5-[(E)-6-(3-morpholin-4-ylpropoxy)-6-oxidanylidene-hex-2-enyl]-3-oxidanylidene-1H-2-benzofuran-4-yl] adamantane-1-carboxylate Openeye Name: [6-methoxy-7-methyl-5-[(E)-6-(3-morpholinopropoxy)-6-oxo-hex-2-enyl]-3-oxo-1H-isobenzofuran-4-yl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [6-methoxy-7-methyl-5-[(E)-6-[3-(4-morpholinyl)propoxy]-6-oxohex-2-enyl]-3-oxo-1H-isobenzofuran-4-yl] ester IUPAC Name: [6-methoxy-7-methyl-5-[(E)-6-(3-morpholin-4-ylpropoxy)-6-oxohex-2-enyl]-3-oxo-1H-2-benzofuran-4-yl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [3-keto-5-[(E)-6-keto-6-(3-morpholinopropoxy)hex-2-enyl]-6-methoxy-7-methyl-phthalan-4-yl] ester Formula: C34H45NO8 MolecularWeight: 595.723

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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=CCCC(=O)OCCCN6CCOCC6)OC

Isomeric SMILES

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

InChI

InChI=1S/C34H45NO8/c1-22-27-21-42-32(37)29(27)31(43-33(38)34-18-23-15-24(19-34)17-25(16-23)20-34)26(30(22)39-2)7-4-3-5-8-28(36)41-12-6-9-35-10-13-40-14-11-35/h3-4,23-25H,5-21H2,1-2H3/b4-3+