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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=NC=C(C=N3)OC(=O)CCCC

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=NC=C(C=N3)OC(=O)CCCC

InChI

InChI=1S/C28H40N2O2/c1-3-5-7-8-9-10-22-12-14-23(15-13-22)24-16-18-25(19-17-24)28-29-20-26(21-30-28)32-27(31)11-6-4-2/h16-23H,3-15H2,1-2H3