(6E)-3-octoxy-6-[5-(4-octoxyphenyl)-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-3-octoxy-6-[5-(4-octoxyphenyl)-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6E)-3-octoxy-6-[5-(4-octoxyphenyl)-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6E)-3-octoxy-6-[5-(4-octoxyphenyl)-1H-pyrimidin-2-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-3-octoxy-6-[5-(4-octoxyphenyl)-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6E)-3-octoxy-6-[5-(4-octoxyphenyl)-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one Formula: C32H44N2O3 MolecularWeight: 504.70336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CNC(=C3C=CC(=CC3=O)OCCCCCCCC)N=C2

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CN/C(=C\3/C=CC(=CC3=O)OCCCCCCCC)/N=C2

InChI

InChI=1S/C32H44N2O3/c1-3-5-7-9-11-13-21-36-28-17-15-26(16-18-28)27-24-33-32(34-25-27)30-20-19-29(23-31(30)35)37-22-14-12-10-8-6-4-2/h15-20,23-25,33H,3-14,21-22H2,1-2H3/b32-30+