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

Systemtic Name: [4-[2-(4-heptoxyphenyl)pyrimidin-5-yl]phenyl] 3-methylpentanoate Openeye Name: [4-[2-(4-heptoxyphenyl)pyrimidin-5-yl]phenyl] 3-methylpentanoate CAS Name: 3-methylpentanoic acid [4-[2-(4-heptoxyphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-heptoxyphenyl)pyrimidin-5-yl]phenyl] 3-methylpentanoate Traditional Name: 3-methylvaleric acid [4-[2-(4-heptoxyphenyl)pyrimidin-5-yl]phenyl] ester Formula: C29H36N2O3 MolecularWeight: 460.60774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CC(C)CC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CC(C)CC

InChI

InChI=1S/C29H36N2O3/c1-4-6-7-8-9-18-33-26-14-12-24(13-15-26)29-30-20-25(21-31-29)23-10-16-27(17-11-23)34-28(32)19-22(3)5-2/h10-17,20-22H,4-9,18-19H2,1-3H3