7-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]-2-(4-methoxy-3-oxidanyl-phenyl)-5-oxidanyl-2,3-dihydrochromen-4-one

Systemtic Name: 7-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]-2-(4-methoxy-3-oxidanyl-phenyl)-5-oxidanyl-2,3-dihydrochromen-4-one Openeye Name: 7-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-2-oxo-ethoxy]-5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)chroman-4-one CAS Name: 7-[2-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazinyl]-2-oxoethoxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 7-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one Traditional Name: 5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[2-keto-2-(4-veratrylpiperazino)ethoxy]chroman-4-one Formula: C31H34N2O9 MolecularWeight: 578.60966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)OCC(=O)N4CCN(CC4)CC5=CC(=C(C=C5)OC)OC)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)OCC(=O)N4CCN(CC4)CC5=CC(=C(C=C5)OC)OC)O)O

InChI

InChI=1S/C31H34N2O9/c1-38-25-7-5-20(13-22(25)34)27-16-24(36)31-23(35)14-21(15-29(31)42-27)41-18-30(37)33-10-8-32(9-11-33)17-19-4-6-26(39-2)28(12-19)40-3/h4-7,12-15,27,34-35H,8-11,16-18H2,1-3H3