octyl 4-(5-propylpyrimidin-2-yl)benzoate

Systemtic Name: octyl 4-(5-propylpyrimidin-2-yl)benzoate Openeye Name: octyl 4-(5-propylpyrimidin-2-yl)benzoate CAS Name: 4-(5-propyl-2-pyrimidinyl)benzoic acid octyl ester IUPAC Name: octyl 4-(5-propylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-propylpyrimidin-2-yl)benzoic acid octyl ester Formula: C22H30N2O2 MolecularWeight: 354.4858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=C(C=C1)C2=NC=C(C=N2)CCC

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=C(C=C1)C2=NC=C(C=N2)CCC

InChI

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