[2-(4-undecoxyphenyl)pyrimidin-5-yl] 4-methylhexanoate

Systemtic Name: [2-(4-undecoxyphenyl)pyrimidin-5-yl] 4-methylhexanoate Openeye Name: [2-(4-undecoxyphenyl)pyrimidin-5-yl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid [2-(4-undecoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-undecoxyphenyl)pyrimidin-5-yl] 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [2-(4-undecoxyphenyl)pyrimidin-5-yl] ester Formula: C28H42N2O3 MolecularWeight: 454.64468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCC(C)CC

Isomeric SMILES

CCCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCC(C)CC

InChI

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