[2-(4-heptylphenyl)pyrimidin-5-yl] undec-10-enoate

Systemtic Name: [2-(4-heptylphenyl)pyrimidin-5-yl] undec-10-enoate Openeye Name: [2-(4-heptylphenyl)pyrimidin-5-yl] undec-10-enoate CAS Name: 10-undecenoic acid [2-(4-heptylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-heptylphenyl)pyrimidin-5-yl] undec-10-enoate Traditional Name: undec-10-enoic acid [2-(4-heptylphenyl)pyrimidin-5-yl] ester Formula: C28H40N2O2 MolecularWeight: 436.6294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCCCCCC=C

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCCCCCC=C

InChI

InChI=1S/C28H40N2O2/c1-3-5-7-9-10-11-13-15-17-27(31)32-26-22-29-28(30-23-26)25-20-18-24(19-21-25)16-14-12-8-6-4-2/h3,18-23H,1,4-17H2,2H3