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

Systemtic Name: [2-[4-(4-heptylcyclohexyl)phenyl]pyrimidin-5-yl] butanoate Openeye Name: [2-[4-(4-heptylcyclohexyl)phenyl]pyrimidin-5-yl] butanoate CAS Name: butanoic acid [2-[4-(4-heptylcyclohexyl)phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(4-heptylcyclohexyl)phenyl]pyrimidin-5-yl] butanoate Traditional Name: butyric acid [2-[4-(4-heptylcyclohexyl)phenyl]pyrimidin-5-yl] ester Formula: C27H38N2O2 MolecularWeight: 422.60282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38N2O2/c1-3-5-6-7-8-10-21-11-13-22(14-12-21)23-15-17-24(18-16-23)27-28-19-25(20-29-27)31-26(30)9-4-2/h15-22H,3-14H2,1-2H3