[4-[2-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyrimidin-5-yl] pentanoate

Systemtic Name: [4-[2-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyrimidin-5-yl] pentanoate Openeye Name: [4-[2-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyrimidin-5-yl] pentanoate CAS Name: pentanoic acid [4-[2-[2-(4-pentylcyclohexyl)ethyl]phenyl]-5-pyrimidinyl] ester IUPAC Name: [4-[2-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyrimidin-5-yl] pentanoate Traditional Name: valeric acid [4-[2-[2-(4-amylcyclohexyl)ethyl]phenyl]pyrimidin-5-yl] ester Formula: C28H40N2O2 MolecularWeight: 436.6294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)CCC2=CC=CC=C2C3=NC=NC=C3OC(=O)CCCC

Isomeric SMILES

CCCCCC1CCC(CC1)CCC2=CC=CC=C2C3=NC=NC=C3OC(=O)CCCC

InChI

InChI=1S/C28H40N2O2/c1-3-5-7-10-22-14-16-23(17-15-22)18-19-24-11-8-9-12-25(24)28-26(20-29-21-30-28)32-27(31)13-6-4-2/h8-9,11-12,20-23H,3-7,10,13-19H2,1-2H3