[4-(5-hexylpyrimidin-2-yl)phenyl] 3-heptoxy-2-methyl-propanoate

Systemtic Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-heptoxy-2-methyl-propanoate Openeye Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-heptoxy-2-methyl-propanoate CAS Name: 3-heptoxy-2-methylpropanoic acid [4-(5-hexyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-heptoxy-2-methylpropanoate Traditional Name: 3-heptoxy-2-methyl-propionic acid [4-(5-hexylpyrimidin-2-yl)phenyl] ester Formula: C27H40N2O3 MolecularWeight: 440.6181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOCC(C)C(=O)OC1=CC=C(C=C1)C2=NC=C(C=N2)CCCCCC

Isomeric SMILES

CCCCCCCOCC(C)C(=O)OC1=CC=C(C=C1)C2=NC=C(C=N2)CCCCCC

InChI

InChI=1S/C27H40N2O3/c1-4-6-8-10-12-18-31-21-22(3)27(30)32-25-16-14-24(15-17-25)26-28-19-23(20-29-26)13-11-9-7-5-2/h14-17,19-20,22H,4-13,18,21H2,1-3H3