[2-chloranyl-4-[2-[1-(4-pentylcyclohexyl)ethyl]pyrimidin-5-yl]phenyl] propanoate

Systemtic Name: [2-chloranyl-4-[2-[1-(4-pentylcyclohexyl)ethyl]pyrimidin-5-yl]phenyl] propanoate Openeye Name: [2-chloro-4-[2-[1-(4-pentylcyclohexyl)ethyl]pyrimidin-5-yl]phenyl] propanoate CAS Name: propanoic acid [2-chloro-4-[2-[1-(4-pentylcyclohexyl)ethyl]-5-pyrimidinyl]phenyl] ester IUPAC Name: [2-chloro-4-[2-[1-(4-pentylcyclohexyl)ethyl]pyrimidin-5-yl]phenyl] propanoate Traditional Name: propionic acid [4-[2-[1-(4-amylcyclohexyl)ethyl]pyrimidin-5-yl]-2-chloro-phenyl] ester Formula: C26H35ClN2O2 MolecularWeight: 443.0213

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C(C)C2=NC=C(C=N2)C3=CC(=C(C=C3)OC(=O)CC)Cl

Isomeric SMILES

CCCCCC1CCC(CC1)C(C)C2=NC=C(C=N2)C3=CC(=C(C=C3)OC(=O)CC)Cl

InChI

InChI=1S/C26H35ClN2O2/c1-4-6-7-8-19-9-11-20(12-10-19)18(3)26-28-16-22(17-29-26)21-13-14-24(23(27)15-21)31-25(30)5-2/h13-20H,4-12H2,1-3H3