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

Systemtic Name: [4-[2-[2-(4-pentylphenyl)ethyl]phenyl]pyrimidin-5-yl] octanoate Openeye Name: [4-[2-[2-(4-pentylphenyl)ethyl]phenyl]pyrimidin-5-yl] octanoate CAS Name: octanoic acid [4-[2-[2-(4-pentylphenyl)ethyl]phenyl]-5-pyrimidinyl] ester IUPAC Name: [4-[2-[2-(4-pentylphenyl)ethyl]phenyl]pyrimidin-5-yl] octanoate Traditional Name: caprylic acid [4-[2-[2-(4-amylphenyl)ethyl]phenyl]pyrimidin-5-yl] ester Formula: C31H40N2O2 MolecularWeight: 472.6615

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CN=CN=C1C2=CC=CC=C2CCC3=CC=C(C=C3)CCCCC

Isomeric SMILES

CCCCCCCC(=O)OC1=CN=CN=C1C2=CC=CC=C2CCC3=CC=C(C=C3)CCCCC

InChI

InChI=1S/C31H40N2O2/c1-3-5-7-8-10-16-30(34)35-29-23-32-24-33-31(29)28-15-12-11-14-27(28)22-21-26-19-17-25(18-20-26)13-9-6-4-2/h11-12,14-15,17-20,23-24H,3-10,13,16,21-22H2,1-2H3