[4-[2-[2-(4-pentylphenyl)ethyl]phenyl]pyrimidin-5-yl] hexanoate

Systemtic Name: [4-[2-[2-(4-pentylphenyl)ethyl]phenyl]pyrimidin-5-yl] hexanoate Openeye Name: [4-[2-[2-(4-pentylphenyl)ethyl]phenyl]pyrimidin-5-yl] hexanoate CAS Name: hexanoic acid [4-[2-[2-(4-pentylphenyl)ethyl]phenyl]-5-pyrimidinyl] ester IUPAC Name: [4-[2-[2-(4-pentylphenyl)ethyl]phenyl]pyrimidin-5-yl] hexanoate Traditional Name: hexanoic acid [4-[2-[2-(4-amylphenyl)ethyl]phenyl]pyrimidin-5-yl] ester Formula: C29H36N2O2 MolecularWeight: 444.60834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)CCC2=CC=CC=C2C3=NC=NC=C3OC(=O)CCCCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)CCC2=CC=CC=C2C3=NC=NC=C3OC(=O)CCCCC

InChI

InChI=1S/C29H36N2O2/c1-3-5-7-11-23-15-17-24(18-16-23)19-20-25-12-9-10-13-26(25)29-27(21-30-22-31-29)33-28(32)14-8-6-4-2/h9-10,12-13,15-18,21-22H,3-8,11,14,19-20H2,1-2H3