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

Systemtic Name: 5-(4-dodecoxyphenyl)-2-phenyl-pyrimidine-4-carboxylic acid Openeye Name: 5-(4-dodecoxyphenyl)-2-phenyl-pyrimidine-4-carboxylic acid CAS Name: 5-(4-dodecoxyphenyl)-2-phenyl-4-pyrimidinecarboxylic acid IUPAC Name: 5-(4-dodecoxyphenyl)-2-phenylpyrimidine-4-carboxylic acid Traditional Name: 5-(4-lauryloxyphenyl)-2-phenyl-pyrimidine-4-carboxylic acid Formula: C29H36N2O3 MolecularWeight: 460.60774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C29H36N2O3/c1-2-3-4-5-6-7-8-9-10-14-21-34-25-19-17-23(18-20-25)26-22-30-28(31-27(26)29(32)33)24-15-12-11-13-16-24/h11-13,15-20,22H,2-10,14,21H2,1H3,(H,32,33)