[2-cyano-6-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]phenyl] propanoate

Systemtic Name: [2-cyano-6-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]phenyl] propanoate Openeye Name: [2-cyano-6-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]phenyl] propanoate CAS Name: propanoic acid [2-cyano-6-[5-(4-pentylcyclohexyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [2-cyano-6-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]phenyl] propanoate Traditional Name: propionic acid [2-[5-(4-amylcyclohexyl)pyrimidin-2-yl]-6-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=CC(=C3OC(=O)CC)C#N

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=CC(=C3OC(=O)CC)C#N

InChI

InChI=1S/C25H31N3O2/c1-3-5-6-8-18-11-13-19(14-12-18)21-16-27-25(28-17-21)22-10-7-9-20(15-26)24(22)30-23(29)4-2/h7,9-10,16-19H,3-6,8,11-14H2,1-2H3