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

Systemtic Name: 5-(4-octoxyphenyl)-2-phenyl-pyrimidine-4-carboxylic acid Openeye Name: 5-(4-octoxyphenyl)-2-phenyl-pyrimidine-4-carboxylic acid CAS Name: 5-(4-octoxyphenyl)-2-phenyl-4-pyrimidinecarboxylic acid IUPAC Name: 5-(4-octoxyphenyl)-2-phenylpyrimidine-4-carboxylic acid Traditional Name: 5-(4-octoxyphenyl)-2-phenyl-pyrimidine-4-carboxylic acid Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C25H28N2O3/c1-2-3-4-5-6-10-17-30-21-15-13-19(14-16-21)22-18-26-24(27-23(22)25(28)29)20-11-8-7-9-12-20/h7-9,11-16,18H,2-6,10,17H2,1H3,(H,28,29)