[4-[2-(4-nonylphenyl)pyrimidin-5-yl]phenyl] 4-methylhexanoate

Systemtic Name: [4-[2-(4-nonylphenyl)pyrimidin-5-yl]phenyl] 4-methylhexanoate Openeye Name: [4-[2-(4-nonylphenyl)pyrimidin-5-yl]phenyl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid [4-[2-(4-nonylphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-nonylphenyl)pyrimidin-5-yl]phenyl] 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [4-[2-(4-nonylphenyl)pyrimidin-5-yl]phenyl] 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)C3=CC=C(C=C3)OC(=O)CCC(C)CC

Isomeric SMILES

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

InChI

InChI=1S/C32H42N2O2/c1-4-6-7-8-9-10-11-12-26-14-16-28(17-15-26)32-33-23-29(24-34-32)27-18-20-30(21-19-27)36-31(35)22-13-25(3)5-2/h14-21,23-25H,4-13,22H2,1-3H3