5-decyl-2-[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]pyrimidine

Systemtic Name: 5-decyl-2-[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]pyrimidine Openeye Name: 5-decyl-2-[4-(2-methyl-2,3-dihydrobenzofuran-5-yl)phenyl]pyrimidine CAS Name: 5-decyl-2-[4-(2-methyl-2,3-dihydrobenzofuran-5-yl)phenyl]pyrimidine IUPAC Name: 5-decyl-2-[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]pyrimidine Traditional Name: 5-decyl-2-[4-(2-methylcoumaran-5-yl)phenyl]pyrimidine Formula: C29H36N2O MolecularWeight: 428.60894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC4=C(C=C3)OC(C4)C

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC4=C(C=C3)OC(C4)C

InChI

InChI=1S/C29H36N2O/c1-3-4-5-6-7-8-9-10-11-23-20-30-29(31-21-23)25-14-12-24(13-15-25)26-16-17-28-27(19-26)18-22(2)32-28/h12-17,19-22H,3-11,18H2,1-2H3