2,5-bis(chloranyl)-4-[5,7-dimethoxy-8-(1-methyl-3-oxidanyl-piperidin-4-yl)-4-oxidanylidene-chromen-2-yl]benzoate

Systemtic Name: 2,5-bis(chloranyl)-4-[5,7-dimethoxy-8-(1-methyl-3-oxidanyl-piperidin-4-yl)-4-oxidanylidene-chromen-2-yl]benzoate Openeye Name: 2,5-dichloro-4-[8-(3-hydroxy-1-methyl-4-piperidyl)-5,7-dimethoxy-4-oxo-chromen-2-yl]benzoate CAS Name: 2,5-dichloro-4-[8-(3-hydroxy-1-methyl-4-piperidinyl)-5,7-dimethoxy-4-oxo-1-benzopyran-2-yl]benzoate IUPAC Name: 2,5-dichloro-4-[8-(3-hydroxy-1-methylpiperidin-4-yl)-5,7-dimethoxy-4-oxochromen-2-yl]benzoate Traditional Name: 2,5-dichloro-4-[8-(3-hydroxy-1-methyl-4-piperidyl)-4-keto-5,7-dimethoxy-chromen-2-yl]benzoate Formula: C24H22Cl2NO7- MolecularWeight: 507.33998

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C(C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC(=C(C=C4Cl)C(=O)[O-])Cl)OC)OC

Isomeric SMILES

CN1CCC(C(C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC(=C(C=C4Cl)C(=O)[O-])Cl)OC)OC

InChI

InChI=1S/C24H23Cl2NO7/c1-27-5-4-11(17(29)10-27)21-19(32-2)9-20(33-3)22-16(28)8-18(34-23(21)22)12-6-15(26)13(24(30)31)7-14(12)25/h6-9,11,17,29H,4-5,10H2,1-3H3,(H,30,31)/p-1