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

Systemtic Name: [2-cyano-4-[2-[(4-pentylcyclohexyl)methoxy]pyrimidin-5-yl]phenyl] propanoate Openeye Name: [2-cyano-4-[2-[(4-pentylcyclohexyl)methoxy]pyrimidin-5-yl]phenyl] propanoate CAS Name: propanoic acid [2-cyano-4-[2-[(4-pentylcyclohexyl)methoxy]-5-pyrimidinyl]phenyl] ester IUPAC Name: [2-cyano-4-[2-[(4-pentylcyclohexyl)methoxy]pyrimidin-5-yl]phenyl] propanoate Traditional Name: propionic acid [4-[2-[(4-amylcyclohexyl)methoxy]pyrimidin-5-yl]-2-cyano-phenyl] ester Formula: C26H33N3O3 MolecularWeight: 435.55852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)COC2=NC=C(C=N2)C3=CC(=C(C=C3)OC(=O)CC)C#N

Isomeric SMILES

CCCCCC1CCC(CC1)COC2=NC=C(C=N2)C3=CC(=C(C=C3)OC(=O)CC)C#N

InChI

InChI=1S/C26H33N3O3/c1-3-5-6-7-19-8-10-20(11-9-19)18-31-26-28-16-23(17-29-26)21-12-13-24(22(14-21)15-27)32-25(30)4-2/h12-14,16-17,19-20H,3-11,18H2,1-2H3