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

Systemtic Name: heptyl 4-(5-nonylpyrimidin-2-yl)benzoate Openeye Name: heptyl 4-(5-nonylpyrimidin-2-yl)benzoate CAS Name: 4-(5-nonyl-2-pyrimidinyl)benzoic acid heptyl ester IUPAC Name: heptyl 4-(5-nonylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-nonylpyrimidin-2-yl)benzoic acid heptyl ester Formula: C27H40N2O2 MolecularWeight: 424.6187

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OCCCCCCC

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OCCCCCCC

InChI

InChI=1S/C27H40N2O2/c1-3-5-7-9-10-11-13-15-23-21-28-26(29-22-23)24-16-18-25(19-17-24)27(30)31-20-14-12-8-6-4-2/h16-19,21-22H,3-15,20H2,1-2H3