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

Systemtic Name: 2-(1,3-benzodioxol-4-yl)-1,3-bis[(4-methoxyphenyl)methyl]-1,3-diazinane Openeye Name: 2-(1,3-benzodioxol-4-yl)-1,3-bis[(4-methoxyphenyl)methyl]hexahydropyrimidine CAS Name: 2-(1,3-benzodioxol-4-yl)-1,3-bis[(4-methoxyphenyl)methyl]-1,3-diazinane IUPAC Name: 2-(1,3-benzodioxol-4-yl)-1,3-bis[(4-methoxyphenyl)methyl]-1,3-diazinane Traditional Name: 2-(1,3-benzodioxol-4-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=C4C(=CC=C3)OCO4)CC5=CC=C(C=C5)OC

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(C2C3=C4C(=CC=C3)OCO4)CC5=CC=C(C=C5)OC

InChI

InChI=1S/C27H30N2O4/c1-30-22-11-7-20(8-12-22)17-28-15-4-16-29(18-21-9-13-23(31-2)14-10-21)27(28)24-5-3-6-25-26(24)33-19-32-25/h3,5-14,27H,4,15-19H2,1-2H3