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

Systemtic Name: [4-(5-undecylpyrimidin-2-yl)phenyl] (4S)-4-methylhexanoate Openeye Name: [4-(5-undecylpyrimidin-2-yl)phenyl] (4S)-4-methylhexanoate CAS Name: (4S)-4-methylhexanoic acid [4-(5-undecyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-undecylpyrimidin-2-yl)phenyl] (4S)-4-methylhexanoate Traditional Name: (4S)-4-methylhexanoic acid [4-(5-undecylpyrimidin-2-yl)phenyl] ester Formula: C28H42N2O2 MolecularWeight: 438.64528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCC(C)CC

Isomeric SMILES

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CC[C@@H](C)CC

InChI

InChI=1S/C28H42N2O2/c1-4-6-7-8-9-10-11-12-13-14-24-21-29-28(30-22-24)25-16-18-26(19-17-25)32-27(31)20-15-23(3)5-2/h16-19,21-23H,4-15,20H2,1-3H3/t23-/m0/s1