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

Systemtic Name: [4-[2-(4-butylphenyl)pyrimidin-5-yl]phenyl] 4-methylhexanoate Openeye Name: [4-[2-(4-butylphenyl)pyrimidin-5-yl]phenyl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid [4-[2-(4-butylphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-butylphenyl)pyrimidin-5-yl]phenyl] 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [4-[2-(4-butylphenyl)pyrimidin-5-yl]phenyl] ester Formula: C27H32N2O2 MolecularWeight: 416.55518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCC(C)CC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCC(C)CC

InChI

InChI=1S/C27H32N2O2/c1-4-6-7-21-9-11-23(12-10-21)27-28-18-24(19-29-27)22-13-15-25(16-14-22)31-26(30)17-8-20(3)5-2/h9-16,18-20H,4-8,17H2,1-3H3