4-[(3-fluoranyl-4-oxidanyl-phenyl)methyl-piperidin-4-yl-amino]-6-methoxy-chromen-2-one hydrochloride

Systemtic Name: 4-[(3-fluoranyl-4-oxidanyl-phenyl)methyl-piperidin-4-yl-amino]-6-methoxy-chromen-2-one hydrochloride Openeye Name: 4-[(3-fluoro-4-hydroxy-phenyl)methyl-(4-piperidyl)amino]-6-methoxy-chromen-2-one hydrochloride CAS Name: 4-[(3-fluoro-4-hydroxyphenyl)methyl-(4-piperidinyl)amino]-6-methoxy-1-benzopyran-2-one hydrochloride IUPAC Name: 4-[(3-fluoro-4-hydroxyphenyl)methyl-piperidin-4-ylamino]-6-methoxychromen-2-one hydrochloride Traditional Name: 4-[(3-fluoro-4-hydroxy-benzyl)-(4-piperidyl)amino]-6-methoxy-coumarin hydrochloride Formula: C22H24ClFN2O4 MolecularWeight: 434.888363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(=O)C=C2N(CC3=CC(=C(C=C3)O)F)C4CCNCC4.Cl

Isomeric SMILES

COC1=CC2=C(C=C1)OC(=O)C=C2N(CC3=CC(=C(C=C3)O)F)C4CCNCC4.Cl

InChI

InChI=1S/C22H23FN2O4.ClH/c1-28-16-3-5-21-17(11-16)19(12-22(27)29-21)25(15-6-8-24-9-7-15)13-14-2-4-20(26)18(23)10-14;/h2-5,10-12,15,24,26H,6-9,13H2,1H3;1H