4-[2-[2-[4-[[2-(4-fluorophenyl)-6-oxidanyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]ethyl-methyl-amino]-1-oxidanyl-ethyl]benzene-1,2-diol

Systemtic Name: 4-[2-[2-[4-[[2-(4-fluorophenyl)-6-oxidanyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]ethyl-methyl-amino]-1-oxidanyl-ethyl]benzene-1,2-diol Openeye Name: 4-[2-[2-[4-[[2-(4-fluorophenyl)-6-hydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]ethyl-methyl-amino]-1-hydroxy-ethyl]benzene-1,2-diol CAS Name: 4-[2-[2-[4-[[2-(4-fluorophenyl)-6-hydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]ethyl-methylamino]-1-hydroxyethyl]benzene-1,2-diol IUPAC Name: 4-[2-[2-[4-[[2-(4-fluorophenyl)-6-hydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]ethyl-methylamino]-1-hydroxyethyl]benzene-1,2-diol Traditional Name: 4-[2-[2-[4-[[2-(4-fluorophenyl)-6-hydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]ethyl-methyl-amino]-1-hydroxy-ethyl]pyrocatechol Formula: C33H35FN2O5 MolecularWeight: 558.639803

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC1=CC=C(C=C1)CC2C3=C(CCN2C4=CC=C(C=C4)F)C=C(C=C3)O)CC(C5=CC(=C(C=C5)O)O)O

Isomeric SMILES

CN(CCOC1=CC=C(C=C1)CC2C3=C(CCN2C4=CC=C(C=C4)F)C=C(C=C3)O)CC(C5=CC(=C(C=C5)O)O)O

InChI

InChI=1S/C33H35FN2O5/c1-35(21-33(40)24-4-13-31(38)32(39)20-24)16-17-41-28-10-2-22(3-11-28)18-30-29-12-9-27(37)19-23(29)14-15-36(30)26-7-5-25(34)6-8-26/h2-13,19-20,30,33,37-40H,14-18,21H2,1H3