ethyl 2-(6-methyloctoxy)-4-phenyl-pyrimidine-5-carboxylate; 2-methyloxane

Systemtic Name: ethyl 2-(6-methyloctoxy)-4-phenyl-pyrimidine-5-carboxylate; 2-methyloxane Openeye Name: ethyl 2-(6-methyloctoxy)-4-phenyl-pyrimidine-5-carboxylate; 2-methyltetrahydropyran CAS Name: 2-(6-methyloctoxy)-4-phenyl-5-pyrimidinecarboxylic acid ethyl ester; 2-methyloxane IUPAC Name: ethyl 2-(6-methyloctoxy)-4-phenylpyrimidine-5-carboxylate; 2-methyloxane Traditional Name: 2-(6-methyloctoxy)-4-phenyl-pyrimidine-5-carboxylic acid ethyl ester; 2-methyltetrahydropyran Formula: C28H42N2O4 MolecularWeight: 470.64408

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCCCCOC1=NC=C(C(=N1)C2=CC=CC=C2)C(=O)OCC.CC1CCCCO1

Isomeric SMILES

CCC(C)CCCCCOC1=NC=C(C(=N1)C2=CC=CC=C2)C(=O)OCC.CC1CCCCO1

InChI

InChI=1S/C22H30N2O3.C6H12O/c1-4-17(3)12-8-7-11-15-27-22-23-16-19(21(25)26-5-2)20(24-22)18-13-9-6-10-14-18;1-6-4-2-3-5-7-6/h6,9-10,13-14,16-17H,4-5,7-8,11-12,15H2,1-3H3;6H,2-5H2,1H3