1-piperazin-1-ylpropyl (E)-6-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoate

Systemtic Name: 1-piperazin-1-ylpropyl (E)-6-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoate Openeye Name: 1-piperazin-1-ylpropyl (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-piperazinyl)propyl ester IUPAC Name: 1-piperazin-1-ylpropyl (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-piperazinopropyl ester Formula: C24H34N2O6 MolecularWeight: 446.53656

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N1CCNCC1)OC(=O)CCC(=CCC2=C(C3=C(COC3=O)C(=C2OC)C)O)C

Isomeric SMILES

CCC(N1CCNCC1)OC(=O)CC/C(=C/CC2=C(C3=C(COC3=O)C(=C2OC)C)O)/C

InChI

InChI=1S/C24H34N2O6/c1-5-19(26-12-10-25-11-13-26)32-20(27)9-7-15(2)6-8-17-22(28)21-18(14-31-24(21)29)16(3)23(17)30-4/h6,19,25,28H,5,7-14H2,1-4H3/b15-6+