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

Systemtic Name: [4-[2-[2-(4-pentylphenyl)ethyl]phenyl]pyrimidin-5-yl] propanoate Openeye Name: [4-[2-[2-(4-pentylphenyl)ethyl]phenyl]pyrimidin-5-yl] propanoate CAS Name: propanoic acid [4-[2-[2-(4-pentylphenyl)ethyl]phenyl]-5-pyrimidinyl] ester IUPAC Name: [4-[2-[2-(4-pentylphenyl)ethyl]phenyl]pyrimidin-5-yl] propanoate Traditional Name: propionic acid [4-[2-[2-(4-amylphenyl)ethyl]phenyl]pyrimidin-5-yl] ester Formula: C26H30N2O2 MolecularWeight: 402.5286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O2/c1-3-5-6-9-20-12-14-21(15-13-20)16-17-22-10-7-8-11-23(22)26-24(18-27-19-28-26)30-25(29)4-2/h7-8,10-15,18-19H,3-6,9,16-17H2,1-2H3