2-[1,3-bis[(2,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-4-chloranyl-phenol

Systemtic Name: 2-[1,3-bis[(2,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-4-chloranyl-phenol Openeye Name: 2-[1,3-bis[(2,4-dimethoxyphenyl)methyl]hexahydropyrimidin-2-yl]-4-chloro-phenol CAS Name: 2-[1,3-bis[(2,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-4-chlorophenol IUPAC Name: 2-[1,3-bis[(2,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-4-chlorophenol Traditional Name: 2-[1,3-bis(2,4-dimethoxybenzyl)hexahydropyrimidin-2-yl]-4-chloro-phenol Formula: C28H33ClN2O5 MolecularWeight: 513.02502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2CCCN(C2C3=C(C=CC(=C3)Cl)O)CC4=C(C=C(C=C4)OC)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CN2CCCN(C2C3=C(C=CC(=C3)Cl)O)CC4=C(C=C(C=C4)OC)OC)OC

InChI

InChI=1S/C28H33ClN2O5/c1-33-22-9-6-19(26(15-22)35-3)17-30-12-5-13-31(28(30)24-14-21(29)8-11-25(24)32)18-20-7-10-23(34-2)16-27(20)36-4/h6-11,14-16,28,32H,5,12-13,17-18H2,1-4H3