1-[4-(5-octylpyrimidin-2-yl)phenyl]propan-2-yl ethanoate

Systemtic Name: 1-[4-(5-octylpyrimidin-2-yl)phenyl]propan-2-yl ethanoate Openeye Name: [1-methyl-2-[4-(5-octylpyrimidin-2-yl)phenyl]ethyl] acetate CAS Name: acetic acid 1-[4-(5-octyl-2-pyrimidinyl)phenyl]propan-2-yl ester IUPAC Name: 1-[4-(5-octylpyrimidin-2-yl)phenyl]propan-2-yl acetate Traditional Name: acetic acid [1-methyl-2-[4-(5-octylpyrimidin-2-yl)phenyl]ethyl] ester Formula: C23H32N2O2 MolecularWeight: 368.51238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)CC(C)OC(=O)C

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)CC(C)OC(=O)C

InChI

InChI=1S/C23H32N2O2/c1-4-5-6-7-8-9-10-21-16-24-23(25-17-21)22-13-11-20(12-14-22)15-18(2)27-19(3)26/h11-14,16-18H,4-10,15H2,1-3H3