pentyl 4-(5-hexylpyrimidin-2-yl)benzoate

Systemtic Name: pentyl 4-(5-hexylpyrimidin-2-yl)benzoate Openeye Name: pentyl 4-(5-hexylpyrimidin-2-yl)benzoate CAS Name: 4-(5-hexyl-2-pyrimidinyl)benzoic acid pentyl ester IUPAC Name: pentyl 4-(5-hexylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-hexylpyrimidin-2-yl)benzoic acid amyl ester Formula: C22H30N2O2 MolecularWeight: 354.4858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OCCCCC

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OCCCCC

InChI

InChI=1S/C22H30N2O2/c1-3-5-7-8-10-18-16-23-21(24-17-18)19-11-13-20(14-12-19)22(25)26-15-9-6-4-2/h11-14,16-17H,3-10,15H2,1-2H3