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

Systemtic Name: 5-(4-octadecoxyphenyl)pyrimidine-2-carboxylic acid Openeye Name: 5-(4-octadecoxyphenyl)pyrimidine-2-carboxylic acid CAS Name: 5-(4-octadecoxyphenyl)-2-pyrimidinecarboxylic acid IUPAC Name: 5-(4-octadecoxyphenyl)pyrimidine-2-carboxylic acid Traditional Name: 5-(4-stearyloxyphenyl)pyrimidine-2-carboxylic acid Formula: C29H44N2O3 MolecularWeight: 468.67126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C(=O)O

InChI

InChI=1S/C29H44N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-34-27-20-18-25(19-21-27)26-23-30-28(29(32)33)31-24-26/h18-21,23-24H,2-17,22H2,1H3,(H,32,33)