1-[2-(4-nonylphenyl)-4-phenyl-pyrimidin-5-yl]oxypropan-2-yl 3-methylhexanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H48N2O3/c1-5-7-8-9-10-11-13-17-29-20-22-31(23-21-29)35-36-25-32(34(37-35)30-18-14-12-15-19-30)39-26-28(4)40-33(38)24-27(3)16-6-2/h12,14-15,18-23,25,27-28H,5-11,13,16-17,24,26H2,1-4H3