2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-5-(4-octylphenyl)pyrimidine

Systemtic Name: 2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-5-(4-octylphenyl)pyrimidine Openeye Name: 2-(2-methyl-2,3-dihydrobenzofuran-5-yl)-5-(4-octylphenyl)pyrimidine CAS Name: 2-(2-methyl-2,3-dihydrobenzofuran-5-yl)-5-(4-octylphenyl)pyrimidine IUPAC Name: 2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-5-(4-octylphenyl)pyrimidine Traditional Name: 2-(2-methylcoumaran-5-yl)-5-(4-octylphenyl)pyrimidine Formula: C27H32N2O MolecularWeight: 400.55578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC4=C(C=C3)OC(C4)C

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC4=C(C=C3)OC(C4)C

InChI

InChI=1S/C27H32N2O/c1-3-4-5-6-7-8-9-21-10-12-22(13-11-21)25-18-28-27(29-19-25)23-14-15-26-24(17-23)16-20(2)30-26/h10-15,17-20H,3-9,16H2,1-2H3