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

Systemtic Name: [4-[2-[2-(4-pentylphenyl)ethyl]phenyl]pyrimidin-5-yl] butanoate Openeye Name: [4-[2-[2-(4-pentylphenyl)ethyl]phenyl]pyrimidin-5-yl] butanoate CAS Name: butanoic acid [4-[2-[2-(4-pentylphenyl)ethyl]phenyl]-5-pyrimidinyl] ester IUPAC Name: [4-[2-[2-(4-pentylphenyl)ethyl]phenyl]pyrimidin-5-yl] butanoate Traditional Name: butyric acid [4-[2-[2-(4-amylphenyl)ethyl]phenyl]pyrimidin-5-yl] ester Formula: C27H32N2O2 MolecularWeight: 416.55518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O2/c1-3-5-6-10-21-13-15-22(16-14-21)17-18-23-11-7-8-12-24(23)27-25(19-28-20-29-27)31-26(30)9-4-2/h7-8,11-16,19-20H,3-6,9-10,17-18H2,1-2H3