[4-(5-undecoxypyrimidin-2-yl)phenyl] 3-methylpentanoate

Systemtic Name: [4-(5-undecoxypyrimidin-2-yl)phenyl] 3-methylpentanoate Openeye Name: [4-(5-undecoxypyrimidin-2-yl)phenyl] 3-methylpentanoate CAS Name: 3-methylpentanoic acid [4-(5-undecoxy-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-undecoxypyrimidin-2-yl)phenyl] 3-methylpentanoate Traditional Name: 3-methylvaleric acid [4-(5-undecoxypyrimidin-2-yl)phenyl] ester Formula: C27H40N2O3 MolecularWeight: 440.6181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CC(C)CC

Isomeric SMILES

CCCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CC(C)CC

InChI

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