[2-(4-nonylphenyl)pyrimidin-5-yl] 4-hexylbenzoate

Systemtic Name: [2-(4-nonylphenyl)pyrimidin-5-yl] 4-hexylbenzoate Openeye Name: [2-(4-nonylphenyl)pyrimidin-5-yl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid [2-(4-nonylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-nonylphenyl)pyrimidin-5-yl] 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [2-(4-nonylphenyl)pyrimidin-5-yl] ester Formula: C32H42N2O2 MolecularWeight: 486.68808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3=CC=C(C=C3)CCCCCC

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3=CC=C(C=C3)CCCCCC

InChI

InChI=1S/C32H42N2O2/c1-3-5-7-9-10-11-13-15-26-16-20-28(21-17-26)31-33-24-30(25-34-31)36-32(35)29-22-18-27(19-23-29)14-12-8-6-4-2/h16-25H,3-15H2,1-2H3