4-(5-decoxypyrimidin-2-yl)benzoic acid

Systemtic Name: 4-(5-decoxypyrimidin-2-yl)benzoic acid Openeye Name: 4-(5-decoxypyrimidin-2-yl)benzoic acid CAS Name: 4-(5-decoxy-2-pyrimidinyl)benzoic acid IUPAC Name: 4-(5-decoxypyrimidin-2-yl)benzoic acid Traditional Name: 4-(5-decoxypyrimidin-2-yl)benzoic acid Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C21H28N2O3/c1-2-3-4-5-6-7-8-9-14-26-19-15-22-20(23-16-19)17-10-12-18(13-11-17)21(24)25/h10-13,15-16H,2-9,14H2,1H3,(H,24,25)