[2-(4-dodecoxyphenyl)pyrimidin-5-yl] 5-methylheptanoate

Systemtic Name: [2-(4-dodecoxyphenyl)pyrimidin-5-yl] 5-methylheptanoate Openeye Name: [2-(4-dodecoxyphenyl)pyrimidin-5-yl] 5-methylheptanoate CAS Name: 5-methylheptanoic acid [2-(4-dodecoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-dodecoxyphenyl)pyrimidin-5-yl] 5-methylheptanoate Traditional Name: 5-methylenanthic acid [2-(4-lauryloxyphenyl)pyrimidin-5-yl] ester Formula: C30H46N2O3 MolecularWeight: 482.69784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCC(C)CC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCC(C)CC

InChI

InChI=1S/C30H46N2O3/c1-4-6-7-8-9-10-11-12-13-14-22-34-27-20-18-26(19-21-27)30-31-23-28(24-32-30)35-29(33)17-15-16-25(3)5-2/h18-21,23-25H,4-17,22H2,1-3H3