heptyl 4-(5-heptylpyrimidin-2-yl)benzoate

Systemtic Name: heptyl 4-(5-heptylpyrimidin-2-yl)benzoate Openeye Name: heptyl 4-(5-heptylpyrimidin-2-yl)benzoate CAS Name: 4-(5-heptyl-2-pyrimidinyl)benzoic acid heptyl ester IUPAC Name: heptyl 4-(5-heptylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-heptylpyrimidin-2-yl)benzoic acid heptyl ester Formula: C25H36N2O2 MolecularWeight: 396.56554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OCCCCCCC

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OCCCCCCC

InChI

InChI=1S/C25H36N2O2/c1-3-5-7-9-11-13-21-19-26-24(27-20-21)22-14-16-23(17-15-22)25(28)29-18-12-10-8-6-4-2/h14-17,19-20H,3-13,18H2,1-2H3