methyl 4-[(Z)-[7-[(4-methylpiperazin-1-yl)methyl]-6-oxidanyl-3-oxidanylidene-1-benzofuran-2-ylidene]methyl]benzoate

Systemtic Name: methyl 4-[(Z)-[7-[(4-methylpiperazin-1-yl)methyl]-6-oxidanyl-3-oxidanylidene-1-benzofuran-2-ylidene]methyl]benzoate Openeye Name: methyl 4-[(Z)-[6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-3-oxo-benzofuran-2-ylidene]methyl]benzoate CAS Name: 4-[(Z)-[6-hydroxy-7-[(4-methyl-1-piperazinyl)methyl]-3-oxo-2-benzofuranylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(Z)-[6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate Traditional Name: 4-[(Z)-[6-hydroxy-3-keto-7-[(4-methylpiperazino)methyl]coumaran-2-ylidene]methyl]benzoic acid methyl ester Formula: C23H24N2O5 MolecularWeight: 408.44706

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=C(C=CC3=C2OC(=CC4=CC=C(C=C4)C(=O)OC)C3=O)O

Isomeric SMILES

CN1CCN(CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC=C(C=C4)C(=O)OC)/C3=O)O

InChI

InChI=1S/C23H24N2O5/c1-24-9-11-25(12-10-24)14-18-19(26)8-7-17-21(27)20(30-22(17)18)13-15-3-5-16(6-4-15)23(28)29-2/h3-8,13,26H,9-12,14H2,1-2H3/b20-13-