1-[4-(5-nonylpyrimidin-2-yl)phenyl]propan-2-yl pentanoate

Systemtic Name: 1-[4-(5-nonylpyrimidin-2-yl)phenyl]propan-2-yl pentanoate Openeye Name: [1-methyl-2-[4-(5-nonylpyrimidin-2-yl)phenyl]ethyl] pentanoate CAS Name: pentanoic acid 1-[4-(5-nonyl-2-pyrimidinyl)phenyl]propan-2-yl ester IUPAC Name: 1-[4-(5-nonylpyrimidin-2-yl)phenyl]propan-2-yl pentanoate Traditional Name: valeric acid [1-methyl-2-[4-(5-nonylpyrimidin-2-yl)phenyl]ethyl] ester Formula: C27H40N2O2 MolecularWeight: 424.6187

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)CC(C)OC(=O)CCCC

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)CC(C)OC(=O)CCCC

InChI

InChI=1S/C27H40N2O2/c1-4-6-8-9-10-11-12-13-24-20-28-27(29-21-24)25-17-15-23(16-18-25)19-22(3)31-26(30)14-7-5-2/h15-18,20-22H,4-14,19H2,1-3H3