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

Systemtic Name: [2-(4-octylphenyl)pyrimidin-5-yl] undec-10-enoate Openeye Name: [2-(4-octylphenyl)pyrimidin-5-yl] undec-10-enoate CAS Name: 10-undecenoic acid [2-(4-octylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-octylphenyl)pyrimidin-5-yl] undec-10-enoate Traditional Name: undec-10-enoic acid [2-(4-octylphenyl)pyrimidin-5-yl] ester Formula: C29H42N2O2 MolecularWeight: 450.65598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCCCCCC=C

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCCCCCC=C

InChI

InChI=1S/C29H42N2O2/c1-3-5-7-9-11-12-14-16-18-28(32)33-27-23-30-29(31-24-27)26-21-19-25(20-22-26)17-15-13-10-8-6-4-2/h3,19-24H,1,4-18H2,2H3