[4-(5-pentylpyrimidin-2-yl)phenyl] 2-ethylpentanoate

Systemtic Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 2-ethylpentanoate Openeye Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 2-ethylpentanoate CAS Name: 2-ethylpentanoic acid [4-(5-pentyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 2-ethylpentanoate Traditional Name: 2-ethylvaleric acid [4-(5-amylpyrimidin-2-yl)phenyl] ester Formula: C22H30N2O2 MolecularWeight: 354.4858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(CC)CCC

Isomeric SMILES

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(CC)CCC

InChI

InChI=1S/C22H30N2O2/c1-4-7-8-10-17-15-23-21(24-16-17)19-11-13-20(14-12-19)26-22(25)18(6-3)9-5-2/h11-16,18H,4-10H2,1-3H3