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

Systemtic Name: 2-methyloctyl 4-(2-dodecoxyphenyl)pyrimidine-5-carboxylate Openeye Name: 2-methyloctyl 4-(2-dodecoxyphenyl)pyrimidine-5-carboxylate CAS Name: 4-(2-dodecoxyphenyl)-5-pyrimidinecarboxylic acid 2-methyloctyl ester IUPAC Name: 2-methyloctyl 4-(2-dodecoxyphenyl)pyrimidine-5-carboxylate Traditional Name: 4-(2-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=CC=C1C2=NC=NC=C2C(=O)OCC(C)CCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=CC=C1C2=NC=NC=C2C(=O)OCC(C)CCCCCC

InChI

InChI=1S/C32H50N2O3/c1-4-6-8-10-11-12-13-14-15-19-23-36-30-22-18-17-21-28(30)31-29(24-33-26-34-31)32(35)37-25-27(3)20-16-9-7-5-2/h17-18,21-22,24,26-27H,4-16,19-20,23,25H2,1-3H3