1-[[2-[4-(3-bromanyl-4-methoxy-phenyl)phenyl]-1,3-dioxan-2-yl]methyl]imidazole

Systemtic Name: 1-[[2-[4-(3-bromanyl-4-methoxy-phenyl)phenyl]-1,3-dioxan-2-yl]methyl]imidazole Openeye Name: 1-[[2-[4-(3-bromo-4-methoxy-phenyl)phenyl]-1,3-dioxan-2-yl]methyl]imidazole CAS Name: 1-[[2-[4-(3-bromo-4-methoxyphenyl)phenyl]-1,3-dioxan-2-yl]methyl]imidazole IUPAC Name: 1-[[2-[4-(3-bromo-4-methoxyphenyl)phenyl]-1,3-dioxan-2-yl]methyl]imidazole Traditional Name: 1-[[2-[4-(3-bromo-4-methoxy-phenyl)phenyl]-1,3-dioxan-2-yl]methyl]imidazole Formula: C21H21BrN2O3 MolecularWeight: 429.30704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=C(C=C2)C3(OCCCO3)CN4C=CN=C4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=C(C=C2)C3(OCCCO3)CN4C=CN=C4)Br

InChI

InChI=1S/C21H21BrN2O3/c1-25-20-8-5-17(13-19(20)22)16-3-6-18(7-4-16)21(26-11-2-12-27-21)14-24-10-9-23-15-24/h3-10,13,15H,2,11-12,14H2,1H3