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

Systemtic Name: 1-[5-(4-pentylphenyl)-2-phenyl-pyrimidin-4-yl]oxypropan-2-yl 3-methylhexanoate Openeye Name: [1-methyl-2-[5-(4-pentylphenyl)-2-phenyl-pyrimidin-4-yl]oxy-ethyl] 3-methylhexanoate CAS Name: 3-methylhexanoic acid 1-[[5-(4-pentylphenyl)-2-phenyl-4-pyrimidinyl]oxy]propan-2-yl ester IUPAC Name: 1-[5-(4-pentylphenyl)-2-phenylpyrimidin-4-yl]oxypropan-2-yl 3-methylhexanoate Traditional Name: 3-methylhexanoic acid [2-[5-(4-amylphenyl)-2-phenyl-pyrimidin-4-yl]oxy-1-methyl-ethyl] ester Formula: C31H40N2O3 MolecularWeight: 488.6609

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CN=C(N=C2OCC(C)OC(=O)CC(C)CCC)C3=CC=CC=C3

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CN=C(N=C2OCC(C)OC(=O)CC(C)CCC)C3=CC=CC=C3

InChI

InChI=1S/C31H40N2O3/c1-5-7-9-13-25-16-18-26(19-17-25)28-21-32-30(27-14-10-8-11-15-27)33-31(28)35-22-24(4)36-29(34)20-23(3)12-6-2/h8,10-11,14-19,21,23-24H,5-7,9,12-13,20,22H2,1-4H3