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

Systemtic Name: 1-[4-(5-heptoxypyrimidin-2-yl)phenyl]propan-2-yl ethanoate Openeye Name: [2-[4-(5-heptoxypyrimidin-2-yl)phenyl]-1-methyl-ethyl] acetate CAS Name: acetic acid 1-[4-(5-heptoxy-2-pyrimidinyl)phenyl]propan-2-yl ester IUPAC Name: 1-[4-(5-heptoxypyrimidin-2-yl)phenyl]propan-2-yl acetate Traditional Name: acetic acid [2-[4-(5-heptoxypyrimidin-2-yl)phenyl]-1-methyl-ethyl] ester Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)CC(C)OC(=O)C

Isomeric SMILES

CCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)CC(C)OC(=O)C

InChI

InChI=1S/C22H30N2O3/c1-4-5-6-7-8-13-26-21-15-23-22(24-16-21)20-11-9-19(10-12-20)14-17(2)27-18(3)25/h9-12,15-17H,4-8,13-14H2,1-3H3