3-[(6Z)-1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-6-diphenoxyphosphorylimino-2-methyl-2,5-dihydropyridin-4-yl]propan-1-ol

Systemtic Name: 3-[(6Z)-1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-6-diphenoxyphosphorylimino-2-methyl-2,5-dihydropyridin-4-yl]propan-1-ol Openeye Name: 3-[(6Z)-1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-6-diphenoxyphosphorylimino-2-methyl-2,5-dihydropyridin-4-yl]propan-1-ol CAS Name: 3-[(6Z)-1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-6-diphenoxyphosphorylimino-2-methyl-2,5-dihydropyridin-4-yl]-1-propanol IUPAC Name: 3-[(6Z)-1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-6-diphenoxyphosphorylimino-2-methyl-2,5-dihydropyridin-4-yl]propan-1-ol Traditional Name: 3-[(6Z)-1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-6-diphenoxyphosphorylimino-2-methyl-2,5-dihydropyridin-4-yl]propan-1-ol Formula: C29H30BrN2O6P MolecularWeight: 613.436061

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(CC(=NP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)N1CC4=CC5=C(C=C4Br)OCO5)CCCO

Isomeric SMILES

CC1C=C(C/C(=N/P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)/N1CC4=CC5=C(C=C4Br)OCO5)CCCO

InChI

InChI=1S/C29H30BrN2O6P/c1-21-15-22(9-8-14-33)16-29(32(21)19-23-17-27-28(18-26(23)30)36-20-35-27)31-39(34,37-24-10-4-2-5-11-24)38-25-12-6-3-7-13-25/h2-7,10-13,15,17-18,21,33H,8-9,14,16,19-20H2,1H3/b31-29-