2-methylbutyl 2-(4-octoxyphenyl)pyrimidine-5-carboxylate

Systemtic Name: 2-methylbutyl 2-(4-octoxyphenyl)pyrimidine-5-carboxylate Openeye Name: 2-methylbutyl 2-(4-octoxyphenyl)pyrimidine-5-carboxylate CAS Name: 2-(4-octoxyphenyl)-5-pyrimidinecarboxylic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 2-(4-octoxyphenyl)pyrimidine-5-carboxylate Traditional Name: 2-(4-octoxyphenyl)pyrimidine-5-carboxylic acid 2-methylbutyl ester Formula: C24H34N2O3 MolecularWeight: 398.53836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C(=O)OCC(C)CC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C(=O)OCC(C)CC

InChI

InChI=1S/C24H34N2O3/c1-4-6-7-8-9-10-15-28-22-13-11-20(12-14-22)23-25-16-21(17-26-23)24(27)29-18-19(3)5-2/h11-14,16-17,19H,4-10,15,18H2,1-3H3