[2-chloranyl-4-[8-(5-methylpyrimidin-2-yl)octoxy]phenyl] ethanoate

Systemtic Name: [2-chloranyl-4-[8-(5-methylpyrimidin-2-yl)octoxy]phenyl] ethanoate Openeye Name: [2-chloro-4-[8-(5-methylpyrimidin-2-yl)octoxy]phenyl] acetate CAS Name: acetic acid [2-chloro-4-[8-(5-methyl-2-pyrimidinyl)octoxy]phenyl] ester IUPAC Name: [2-chloro-4-[8-(5-methylpyrimidin-2-yl)octoxy]phenyl] acetate Traditional Name: acetic acid [2-chloro-4-[8-(5-methylpyrimidin-2-yl)octoxy]phenyl] ester Formula: C21H27ClN2O3 MolecularWeight: 390.90368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1)CCCCCCCCOC2=CC(=C(C=C2)OC(=O)C)Cl

Isomeric SMILES

CC1=CN=C(N=C1)CCCCCCCCOC2=CC(=C(C=C2)OC(=O)C)Cl

InChI

InChI=1S/C21H27ClN2O3/c1-16-14-23-21(24-15-16)9-7-5-3-4-6-8-12-26-18-10-11-20(19(22)13-18)27-17(2)25/h10-11,13-15H,3-9,12H2,1-2H3