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

Systemtic Name: [4-(5-dodecoxypyrimidin-2-yl)phenyl] 3-methylpentanoate Openeye Name: [4-(5-dodecoxypyrimidin-2-yl)phenyl] 3-methylpentanoate CAS Name: 3-methylpentanoic acid [4-(5-dodecoxy-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-dodecoxypyrimidin-2-yl)phenyl] 3-methylpentanoate Traditional Name: 3-methylvaleric acid [4-(5-lauryloxypyrimidin-2-yl)phenyl] ester Formula: C28H42N2O3 MolecularWeight: 454.64468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CC(C)CC

Isomeric SMILES

CCCCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CC(C)CC

InChI

InChI=1S/C28H42N2O3/c1-4-6-7-8-9-10-11-12-13-14-19-32-26-21-29-28(30-22-26)24-15-17-25(18-16-24)33-27(31)20-23(3)5-2/h15-18,21-23H,4-14,19-20H2,1-3H3