1-[4-[2-(4-nonylphenyl)pyrimidin-5-yl]phenoxy]propan-2-yl 3-methylhexanoate

Systemtic Name: 1-[4-[2-(4-nonylphenyl)pyrimidin-5-yl]phenoxy]propan-2-yl 3-methylhexanoate Openeye Name: [1-methyl-2-[4-[2-(4-nonylphenyl)pyrimidin-5-yl]phenoxy]ethyl] 3-methylhexanoate CAS Name: 3-methylhexanoic acid 1-[4-[2-(4-nonylphenyl)-5-pyrimidinyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[4-[2-(4-nonylphenyl)pyrimidin-5-yl]phenoxy]propan-2-yl 3-methylhexanoate Traditional Name: 3-methylhexanoic acid [1-methyl-2-[4-[2-(4-nonylphenyl)pyrimidin-5-yl]phenoxy]ethyl] ester Formula: C35H48N2O3 MolecularWeight: 544.76722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H48N2O3/c1-5-7-8-9-10-11-12-14-29-15-17-31(18-16-29)35-36-24-32(25-37-35)30-19-21-33(22-20-30)39-26-28(4)40-34(38)23-27(3)13-6-2/h15-22,24-25,27-28H,5-14,23,26H2,1-4H3