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

Systemtic Name: 1-[4-(5-octylpyrimidin-2-yl)phenyl]propan-2-yl pentanoate Openeye Name: [1-methyl-2-[4-(5-octylpyrimidin-2-yl)phenyl]ethyl] pentanoate CAS Name: pentanoic acid 1-[4-(5-octyl-2-pyrimidinyl)phenyl]propan-2-yl ester IUPAC Name: 1-[4-(5-octylpyrimidin-2-yl)phenyl]propan-2-yl pentanoate Traditional Name: valeric acid [1-methyl-2-[4-(5-octylpyrimidin-2-yl)phenyl]ethyl] ester Formula: C26H38N2O2 MolecularWeight: 410.59212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38N2O2/c1-4-6-8-9-10-11-12-23-19-27-26(28-20-23)24-16-14-22(15-17-24)18-21(3)30-25(29)13-7-5-2/h14-17,19-21H,4-13,18H2,1-3H3