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

Systemtic Name: 1-[5-(4-nonylphenyl)-2-phenyl-pyrimidin-4-yl]oxypropan-2-yl 3-methylhexanoate Openeye Name: [1-methyl-2-[5-(4-nonylphenyl)-2-phenyl-pyrimidin-4-yl]oxy-ethyl] 3-methylhexanoate CAS Name: 3-methylhexanoic acid 1-[[5-(4-nonylphenyl)-2-phenyl-4-pyrimidinyl]oxy]propan-2-yl ester IUPAC Name: 1-[5-(4-nonylphenyl)-2-phenylpyrimidin-4-yl]oxypropan-2-yl 3-methylhexanoate Traditional Name: 3-methylhexanoic acid [1-methyl-2-[5-(4-nonylphenyl)-2-phenyl-pyrimidin-4-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=CN=C(N=C2OCC(C)OC(=O)CC(C)CCC)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2OCC(C)OC(=O)CC(C)CCC)C3=CC=CC=C3

InChI

InChI=1S/C35H48N2O3/c1-5-7-8-9-10-11-13-17-29-20-22-30(23-21-29)32-25-36-34(31-18-14-12-15-19-31)37-35(32)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