2-methyloctyl 2-(4-dodecoxyphenyl)pyrimidine-5-carboxylate

Systemtic Name: 2-methyloctyl 2-(4-dodecoxyphenyl)pyrimidine-5-carboxylate Openeye Name: 2-methyloctyl 2-(4-dodecoxyphenyl)pyrimidine-5-carboxylate CAS Name: 2-(4-dodecoxyphenyl)-5-pyrimidinecarboxylic acid 2-methyloctyl ester IUPAC Name: 2-methyloctyl 2-(4-dodecoxyphenyl)pyrimidine-5-carboxylate Traditional Name: 2-(4-lauryloxyphenyl)pyrimidine-5-carboxylic acid 2-methyloctyl ester Formula: C32H50N2O3 MolecularWeight: 510.751

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C(=O)OCC(C)CCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C(=O)OCC(C)CCCCCC

InChI

InChI=1S/C32H50N2O3/c1-4-6-8-10-11-12-13-14-15-17-23-36-30-21-19-28(20-22-30)31-33-24-29(25-34-31)32(35)37-26-27(3)18-16-9-7-5-2/h19-22,24-25,27H,4-18,23,26H2,1-3H3