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

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] (4S)-4-methylhexanoate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] (4S)-4-methylhexanoate CAS Name: (4S)-4-methylhexanoic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] (4S)-4-methylhexanoate Traditional Name: (4S)-4-methylhexanoic acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C25H36N2O2 MolecularWeight: 396.56554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CC[C@@H](C)CC

InChI

InChI=1S/C25H36N2O2/c1-4-6-7-8-9-10-11-21-18-26-25(27-19-21)22-13-15-23(16-14-22)29-24(28)17-12-20(3)5-2/h13-16,18-20H,4-12,17H2,1-3H3/t20-/m0/s1