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

Systemtic Name: 1-[4-(5-heptylpyrimidin-2-yl)phenyl]propan-2-yl ethanoate Openeye Name: [2-[4-(5-heptylpyrimidin-2-yl)phenyl]-1-methyl-ethyl] acetate CAS Name: acetic acid 1-[4-(5-heptyl-2-pyrimidinyl)phenyl]propan-2-yl ester IUPAC Name: 1-[4-(5-heptylpyrimidin-2-yl)phenyl]propan-2-yl acetate Traditional Name: acetic acid [2-[4-(5-heptylpyrimidin-2-yl)phenyl]-1-methyl-ethyl] ester Formula: C22H30N2O2 MolecularWeight: 354.4858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)CC(C)OC(=O)C

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)CC(C)OC(=O)C

InChI

InChI=1S/C22H30N2O2/c1-4-5-6-7-8-9-20-15-23-22(24-16-20)21-12-10-19(11-13-21)14-17(2)26-18(3)25/h10-13,15-17H,4-9,14H2,1-3H3