[4-(5-octoxypyrimidin-2-yl)phenyl] (4S)-4-methylhexanoate

Systemtic Name: [4-(5-octoxypyrimidin-2-yl)phenyl] (4S)-4-methylhexanoate Openeye Name: [4-(5-octoxypyrimidin-2-yl)phenyl] (4S)-4-methylhexanoate CAS Name: (4S)-4-methylhexanoic acid [4-(5-octoxy-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octoxypyrimidin-2-yl)phenyl] (4S)-4-methylhexanoate Traditional Name: (4S)-4-methylhexanoic acid [4-(5-octoxypyrimidin-2-yl)phenyl] ester Formula: C25H36N2O3 MolecularWeight: 412.56494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCC(C)CC

Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CC[C@@H](C)CC

InChI

InChI=1S/C25H36N2O3/c1-4-6-7-8-9-10-17-29-23-18-26-25(27-19-23)21-12-14-22(15-13-21)30-24(28)16-11-20(3)5-2/h12-15,18-20H,4-11,16-17H2,1-3H3/t20-/m0/s1