(5-dodecoxy-4-phenyl-pyrimidin-2-yl) 4-methylhexanoate

Systemtic Name: (5-dodecoxy-4-phenyl-pyrimidin-2-yl) 4-methylhexanoate Openeye Name: (5-dodecoxy-4-phenyl-pyrimidin-2-yl) 4-methylhexanoate CAS Name: 4-methylhexanoic acid (5-dodecoxy-4-phenyl-2-pyrimidinyl) ester IUPAC Name: (5-dodecoxy-4-phenylpyrimidin-2-yl) 4-methylhexanoate Traditional Name: 4-methylhexanoic acid (5-lauryloxy-4-phenyl-pyrimidin-2-yl) ester Formula: C29H44N2O3 MolecularWeight: 468.67126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CCC(C)CC

Isomeric SMILES

CCCCCCCCCCCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CCC(C)CC

InChI

InChI=1S/C29H44N2O3/c1-4-6-7-8-9-10-11-12-13-17-22-33-26-23-30-29(34-27(32)21-20-24(3)5-2)31-28(26)25-18-15-14-16-19-25/h14-16,18-19,23-24H,4-13,17,20-22H2,1-3H3