2-[1,3-bis[(3,4,5-trimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-4-bromanyl-phenol

Systemtic Name: 2-[1,3-bis[(3,4,5-trimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-4-bromanyl-phenol Openeye Name: 2-[1,3-bis[(3,4,5-trimethoxyphenyl)methyl]hexahydropyrimidin-2-yl]-4-bromo-phenol CAS Name: 2-[1,3-bis[(3,4,5-trimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-4-bromophenol IUPAC Name: 2-[1,3-bis[(3,4,5-trimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-4-bromophenol Traditional Name: 2-[1,3-bis(3,4,5-trimethoxybenzyl)hexahydropyrimidin-2-yl]-4-bromo-phenol Formula: C30H37BrN2O7 MolecularWeight: 617.52798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CN2CCCN(C2C3=C(C=CC(=C3)Br)O)CC4=CC(=C(C(=C4)OC)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CN2CCCN(C2C3=C(C=CC(=C3)Br)O)CC4=CC(=C(C(=C4)OC)OC)OC

InChI

InChI=1S/C30H37BrN2O7/c1-35-24-12-19(13-25(36-2)28(24)39-5)17-32-10-7-11-33(30(32)22-16-21(31)8-9-23(22)34)18-20-14-26(37-3)29(40-6)27(15-20)38-4/h8-9,12-16,30,34H,7,10-11,17-18H2,1-6H3