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

Systemtic Name: 1-[4-(5-nonoxypyrimidin-2-yl)phenyl]propan-2-yl pentanoate Openeye Name: [1-methyl-2-[4-(5-nonoxypyrimidin-2-yl)phenyl]ethyl] pentanoate CAS Name: pentanoic acid 1-[4-(5-nonoxy-2-pyrimidinyl)phenyl]propan-2-yl ester IUPAC Name: 1-[4-(5-nonoxypyrimidin-2-yl)phenyl]propan-2-yl pentanoate Traditional Name: valeric acid [1-methyl-2-[4-(5-nonoxypyrimidin-2-yl)phenyl]ethyl] ester Formula: C27H40N2O3 MolecularWeight: 440.6181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)CC(C)OC(=O)CCCC

Isomeric SMILES

CCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)CC(C)OC(=O)CCCC

InChI

InChI=1S/C27H40N2O3/c1-4-6-8-9-10-11-12-18-31-25-20-28-27(29-21-25)24-16-14-23(15-17-24)19-22(3)32-26(30)13-7-5-2/h14-17,20-22H,4-13,18-19H2,1-3H3