5-(9-cyclopentylnonyl)-2-(4-heptoxyphenyl)pyrimidine

Systemtic Name: 5-(9-cyclopentylnonyl)-2-(4-heptoxyphenyl)pyrimidine Openeye Name: 5-(9-cyclopentylnonyl)-2-(4-heptoxyphenyl)pyrimidine CAS Name: 5-(9-cyclopentylnonyl)-2-(4-heptoxyphenyl)pyrimidine IUPAC Name: 5-(9-cyclopentylnonyl)-2-(4-heptoxyphenyl)pyrimidine Traditional Name: 5-(9-cyclopentylnonyl)-2-(4-heptoxyphenyl)pyrimidine Formula: C31H48N2O MolecularWeight: 464.72562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)CCCCCCCCCC3CCCC3

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)CCCCCCCCCC3CCCC3

InChI

InChI=1S/C31H48N2O/c1-2-3-4-10-15-24-34-30-22-20-29(21-23-30)31-32-25-28(26-33-31)19-12-9-7-5-6-8-11-16-27-17-13-14-18-27/h20-23,25-27H,2-19,24H2,1H3