8-chloranyl-6-[[(2,4-dimethoxyphenyl)methylamino]methyl]-7-oxidanyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one

Systemtic Name: 8-chloranyl-6-[[(2,4-dimethoxyphenyl)methylamino]methyl]-7-oxidanyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one Openeye Name: 8-chloro-6-[[(2,4-dimethoxyphenyl)methylamino]methyl]-7-hydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one CAS Name: 8-chloro-6-[[(2,4-dimethoxyphenyl)methylamino]methyl]-7-hydroxy-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-4-one IUPAC Name: 8-chloro-6-[[(2,4-dimethoxyphenyl)methylamino]methyl]-7-hydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one Traditional Name: 8-chloro-6-[[(2,4-dimethoxybenzyl)amino]methyl]-7-hydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one Formula: C22H22ClNO5 MolecularWeight: 415.86678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNCC2=C3C(=CC(=C2O)Cl)C4=C(CCC4)C(=O)O3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CNCC2=C3C(=CC(=C2O)Cl)C4=C(CCC4)C(=O)O3)OC

InChI

InChI=1S/C22H22ClNO5/c1-27-13-7-6-12(19(8-13)28-2)10-24-11-17-20(25)18(23)9-16-14-4-3-5-15(14)22(26)29-21(16)17/h6-9,24-25H,3-5,10-11H2,1-2H3