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

Systemtic Name: methyl 4-[(Z)-[4-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-oxidanyl-3-oxidanylidene-1-benzofuran-2-ylidene]methyl]benzoate Openeye Name: methyl 4-[(Z)-[6-hydroxy-4-methyl-7-[(4-methylpiperazin-1-yl)methyl]-3-oxo-benzofuran-2-ylidene]methyl]benzoate CAS Name: 4-[(Z)-[6-hydroxy-4-methyl-7-[(4-methyl-1-piperazinyl)methyl]-3-oxo-2-benzofuranylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(Z)-[6-hydroxy-4-methyl-7-[(4-methylpiperazin-1-yl)methyl]-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate Traditional Name: 4-[(Z)-[6-hydroxy-3-keto-4-methyl-7-[(4-methylpiperazino)methyl]coumaran-2-ylidene]methyl]benzoic acid methyl ester Formula: C24H26N2O5 MolecularWeight: 422.47364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)C(=CC3=CC=C(C=C3)C(=O)OC)O2)CN4CCN(CC4)C)O

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)/C(=C/C3=CC=C(C=C3)C(=O)OC)/O2)CN4CCN(CC4)C)O

InChI

InChI=1S/C24H26N2O5/c1-15-12-19(27)18(14-26-10-8-25(2)9-11-26)23-21(15)22(28)20(31-23)13-16-4-6-17(7-5-16)24(29)30-3/h4-7,12-13,27H,8-11,14H2,1-3H3/b20-13-