heptoxymethyl 2-[4-(6-methyloctoxy)phenyl]pyrimidine-5-carboxylate

Systemtic Name: heptoxymethyl 2-[4-(6-methyloctoxy)phenyl]pyrimidine-5-carboxylate Openeye Name: heptoxymethyl 2-[4-(6-methyloctoxy)phenyl]pyrimidine-5-carboxylate CAS Name: 2-[4-(6-methyloctoxy)phenyl]-5-pyrimidinecarboxylic acid heptoxymethyl ester IUPAC Name: heptoxymethyl 2-[4-(6-methyloctoxy)phenyl]pyrimidine-5-carboxylate Traditional Name: 2-[4-(6-methyloctoxy)phenyl]pyrimidine-5-carboxylic acid heptoxymethyl ester Formula: C28H42N2O4 MolecularWeight: 470.64408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOCOC(=O)C1=CN=C(N=C1)C2=CC=C(C=C2)OCCCCCC(C)CC

Isomeric SMILES

CCCCCCCOCOC(=O)C1=CN=C(N=C1)C2=CC=C(C=C2)OCCCCCC(C)CC

InChI

InChI=1S/C28H42N2O4/c1-4-6-7-8-11-18-32-22-34-28(31)25-20-29-27(30-21-25)24-14-16-26(17-15-24)33-19-12-9-10-13-23(3)5-2/h14-17,20-21,23H,4-13,18-19,22H2,1-3H3