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

Systemtic Name: [4-(5-tetradecylpyrimidin-2-yl)phenyl] (4S)-4-methylhexanoate Openeye Name: [4-(5-tetradecylpyrimidin-2-yl)phenyl] (4S)-4-methylhexanoate CAS Name: (4S)-4-methylhexanoic acid [4-(5-tetradecyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-tetradecylpyrimidin-2-yl)phenyl] (4S)-4-methylhexanoate Traditional Name: (4S)-4-methylhexanoic acid [4-(5-myristylpyrimidin-2-yl)phenyl] ester Formula: C31H48N2O2 MolecularWeight: 480.72502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCC(C)CC

Isomeric SMILES

CCCCCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CC[C@@H](C)CC

InChI

InChI=1S/C31H48N2O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-27-24-32-31(33-25-27)28-19-21-29(22-20-28)35-30(34)23-18-26(3)5-2/h19-22,24-26H,4-18,23H2,1-3H3/t26-/m0/s1