[4-(5-tetradecylpyrimidin-2-yl)phenyl] (6S)-6-methyloctanoate

Systemtic Name: [4-(5-tetradecylpyrimidin-2-yl)phenyl] (6S)-6-methyloctanoate Openeye Name: [4-(5-tetradecylpyrimidin-2-yl)phenyl] (6S)-6-methyloctanoate CAS Name: (6S)-6-methyloctanoic acid [4-(5-tetradecyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-tetradecylpyrimidin-2-yl)phenyl] (6S)-6-methyloctanoate Traditional Name: (6S)-6-methylcaprylic acid [4-(5-myristylpyrimidin-2-yl)phenyl] ester Formula: C33H52N2O2 MolecularWeight: 508.77818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H52N2O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-20-29-26-34-33(35-27-29)30-22-24-31(25-23-30)37-32(36)21-18-17-19-28(3)5-2/h22-28H,4-21H2,1-3H3/t28-/m0/s1