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

Systemtic Name: [2-cyano-4-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]phenyl] propanoate Openeye Name: [2-cyano-4-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]phenyl] propanoate CAS Name: propanoic acid [2-cyano-4-[5-(4-pentylcyclohexyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [2-cyano-4-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]phenyl] propanoate Traditional Name: propionic acid [4-[5-(4-amylcyclohexyl)pyrimidin-2-yl]-2-cyano-phenyl] ester Formula: C25H31N3O2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC(=C(C=C3)OC(=O)CC)C#N

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC(=C(C=C3)OC(=O)CC)C#N

InChI

InChI=1S/C25H31N3O2/c1-3-5-6-7-18-8-10-19(11-9-18)22-16-27-25(28-17-22)20-12-13-23(21(14-20)15-26)30-24(29)4-2/h12-14,16-19H,3-11H2,1-2H3