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

Systemtic Name: heptyl 4-(5-decylpyrimidin-2-yl)benzoate Openeye Name: heptyl 4-(5-decylpyrimidin-2-yl)benzoate CAS Name: 4-(5-decyl-2-pyrimidinyl)benzoic acid heptyl ester IUPAC Name: heptyl 4-(5-decylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-decylpyrimidin-2-yl)benzoic acid heptyl ester Formula: C28H42N2O2 MolecularWeight: 438.64528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OCCCCCCC

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OCCCCCCC

InChI

InChI=1S/C28H42N2O2/c1-3-5-7-9-10-11-12-14-16-24-22-29-27(30-23-24)25-17-19-26(20-18-25)28(31)32-21-15-13-8-6-4-2/h17-20,22-23H,3-16,21H2,1-2H3