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

Systemtic Name: [2-chloranyl-4-[2-[(4-pentylcyclohexyl)methoxy]pyrimidin-5-yl]phenyl] propanoate Openeye Name: [2-chloro-4-[2-[(4-pentylcyclohexyl)methoxy]pyrimidin-5-yl]phenyl] propanoate CAS Name: propanoic acid [2-chloro-4-[2-[(4-pentylcyclohexyl)methoxy]-5-pyrimidinyl]phenyl] ester IUPAC Name: [2-chloro-4-[2-[(4-pentylcyclohexyl)methoxy]pyrimidin-5-yl]phenyl] propanoate Traditional Name: propionic acid [4-[2-[(4-amylcyclohexyl)methoxy]pyrimidin-5-yl]-2-chloro-phenyl] ester Formula: C25H33ClN2O3 MolecularWeight: 444.99412

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H33ClN2O3/c1-3-5-6-7-18-8-10-19(11-9-18)17-30-25-27-15-21(16-28-25)20-12-13-23(22(26)14-20)31-24(29)4-2/h12-16,18-19H,3-11,17H2,1-2H3