5-cyclohexa-1,5-dien-1-yl-2-[[4-(2-heptylpyrimidin-5-yl)phenoxy]methyl]-5,6-dihydro-4H-1,3-oxazine

Systemtic Name: 5-cyclohexa-1,5-dien-1-yl-2-[[4-(2-heptylpyrimidin-5-yl)phenoxy]methyl]-5,6-dihydro-4H-1,3-oxazine Openeye Name: 5-cyclohexa-1,5-dien-1-yl-2-[[4-(2-heptylpyrimidin-5-yl)phenoxy]methyl]-5,6-dihydro-4H-1,3-oxazine CAS Name: 5-(1-cyclohexa-1,5-dienyl)-2-[[4-(2-heptyl-5-pyrimidinyl)phenoxy]methyl]-5,6-dihydro-4H-1,3-oxazine IUPAC Name: 5-cyclohexa-1,5-dien-1-yl-2-[[4-(2-heptylpyrimidin-5-yl)phenoxy]methyl]-5,6-dihydro-4H-1,3-oxazine Traditional Name: 5-cyclohexa-1,5-dien-1-yl-2-[[4-(2-heptylpyrimidin-5-yl)phenoxy]methyl]-5,6-dihydro-4H-1,3-oxazine Formula: C28H35N3O2 MolecularWeight: 445.5964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NC=C(C=N1)C2=CC=C(C=C2)OCC3=NCC(CO3)C4=CCCC=C4

Isomeric SMILES

CCCCCCCC1=NC=C(C=N1)C2=CC=C(C=C2)OCC3=NCC(CO3)C4=CCCC=C4

InChI

InChI=1S/C28H35N3O2/c1-2-3-4-5-9-12-27-29-17-24(18-30-27)23-13-15-26(16-14-23)32-21-28-31-19-25(20-33-28)22-10-7-6-8-11-22/h7,10-11,13-18,25H,2-6,8-9,12,19-21H2,1H3