2-(4-octoxyphenyl)pyrimidine-5-carboxylic acid

Systemtic Name: 2-(4-octoxyphenyl)pyrimidine-5-carboxylic acid Openeye Name: 2-(4-octoxyphenyl)pyrimidine-5-carboxylic acid CAS Name: 2-(4-octoxyphenyl)-5-pyrimidinecarboxylic acid IUPAC Name: 2-(4-octoxyphenyl)pyrimidine-5-carboxylic acid Traditional Name: 2-(4-octoxyphenyl)pyrimidine-5-carboxylic acid Formula: C19H24N2O3 MolecularWeight: 328.40546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C(=O)O

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C(=O)O

InChI

InChI=1S/C19H24N2O3/c1-2-3-4-5-6-7-12-24-17-10-8-15(9-11-17)18-20-13-16(14-21-18)19(22)23/h8-11,13-14H,2-7,12H2,1H3,(H,22,23)