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

Systemtic Name: [2-[4-(4-heptylcyclohexyl)phenyl]pyrimidin-5-yl] propanoate Openeye Name: [2-[4-(4-heptylcyclohexyl)phenyl]pyrimidin-5-yl] propanoate CAS Name: propanoic acid [2-[4-(4-heptylcyclohexyl)phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(4-heptylcyclohexyl)phenyl]pyrimidin-5-yl] propanoate Traditional Name: propionic acid [2-[4-(4-heptylcyclohexyl)phenyl]pyrimidin-5-yl] ester Formula: C26H36N2O2 MolecularWeight: 408.57624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O2/c1-3-5-6-7-8-9-20-10-12-21(13-11-20)22-14-16-23(17-15-22)26-27-18-24(19-28-26)30-25(29)4-2/h14-21H,3-13H2,1-2H3