pyrimidin-5-yl 2-(4-hexylphenyl)-4-nonyl-benzoate

Systemtic Name: pyrimidin-5-yl 2-(4-hexylphenyl)-4-nonyl-benzoate Openeye Name: pyrimidin-5-yl 2-(4-hexylphenyl)-4-nonyl-benzoate CAS Name: 2-(4-hexylphenyl)-4-nonylbenzoic acid 5-pyrimidinyl ester IUPAC Name: pyrimidin-5-yl 2-(4-hexylphenyl)-4-nonylbenzoate Traditional Name: 2-(4-hexylphenyl)-4-nonyl-benzoic acid 5-pyrimidyl ester Formula: C32H42N2O2 MolecularWeight: 486.68808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC(=C(C=C1)C(=O)OC2=CN=CN=C2)C3=CC=C(C=C3)CCCCCC

Isomeric SMILES

CCCCCCCCCC1=CC(=C(C=C1)C(=O)OC2=CN=CN=C2)C3=CC=C(C=C3)CCCCCC

InChI

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