4-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]methyl-piperidin-4-yl-amino]-6-methoxy-chromen-2-one

Systemtic Name: 4-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]methyl-piperidin-4-yl-amino]-6-methoxy-chromen-2-one Openeye Name: 4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl-(4-piperidyl)amino]-6-methoxy-chromen-2-one CAS Name: 4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl-(4-piperidinyl)amino]-6-methoxy-1-benzopyran-2-one IUPAC Name: 4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl-piperidin-4-ylamino]-6-methoxychromen-2-one Traditional Name: 4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl-(4-piperidyl)amino]-6-methoxy-coumarin Formula: C23H22F2N2O5 MolecularWeight: 444.427986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(=O)C=C2N(CC3=CC4=C(C=C3)OC(O4)(F)F)C5CCNCC5

Isomeric SMILES

COC1=CC2=C(C=C1)OC(=O)C=C2N(CC3=CC4=C(C=C3)OC(O4)(F)F)C5CCNCC5

InChI

InChI=1S/C23H22F2N2O5/c1-29-16-3-5-19-17(11-16)18(12-22(28)30-19)27(15-6-8-26-9-7-15)13-14-2-4-20-21(10-14)32-23(24,25)31-20/h2-5,10-12,15,26H,6-9,13H2,1H3