[4-[2-(4-pentoxyphenyl)pyrimidin-5-yl]phenyl] 5-methylheptanoate

Systemtic Name: [4-[2-(4-pentoxyphenyl)pyrimidin-5-yl]phenyl] 5-methylheptanoate Openeye Name: [4-[2-(4-pentoxyphenyl)pyrimidin-5-yl]phenyl] 5-methylheptanoate CAS Name: 5-methylheptanoic acid [4-[2-(4-pentoxyphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-pentoxyphenyl)pyrimidin-5-yl]phenyl] 5-methylheptanoate Traditional Name: 5-methylenanthic acid [4-[2-(4-amoxyphenyl)pyrimidin-5-yl]phenyl] ester Formula: C29H36N2O3 MolecularWeight: 460.60774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCC(C)CC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCC(C)CC

InChI

InChI=1S/C29H36N2O3/c1-4-6-7-19-33-26-15-13-24(14-16-26)29-30-20-25(21-31-29)23-11-17-27(18-12-23)34-28(32)10-8-9-22(3)5-2/h11-18,20-22H,4-10,19H2,1-3H3