2-(1,3-benzodioxol-5-yl)-1,3-bis[(4-methoxyphenyl)methyl]-1,3-diazinane

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-1,3-bis[(4-methoxyphenyl)methyl]-1,3-diazinane Openeye Name: 2-(1,3-benzodioxol-5-yl)-1,3-bis[(4-methoxyphenyl)methyl]hexahydropyrimidine CAS Name: 2-(1,3-benzodioxol-5-yl)-1,3-bis[(4-methoxyphenyl)methyl]-1,3-diazinane IUPAC Name: 2-(1,3-benzodioxol-5-yl)-1,3-bis[(4-methoxyphenyl)methyl]-1,3-diazinane Traditional Name: 2-(1,3-benzodioxol-5-yl)-1,3-bis(p-anisyl)hexahydropyrimidine Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCN(C2C3=CC4=C(C=C3)OCO4)CC5=CC=C(C=C5)OC

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(C2C3=CC4=C(C=C3)OCO4)CC5=CC=C(C=C5)OC

InChI

InChI=1S/C27H30N2O4/c1-30-23-9-4-20(5-10-23)17-28-14-3-15-29(18-21-6-11-24(31-2)12-7-21)27(28)22-8-13-25-26(16-22)33-19-32-25/h4-13,16,27H,3,14-15,17-19H2,1-2H3