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

Systemtic Name: 3-pentoxypropyl 2-[4-(6-methyloctoxy)phenyl]pyrimidine-5-carboxylate Openeye Name: 3-pentoxypropyl 2-[4-(6-methyloctoxy)phenyl]pyrimidine-5-carboxylate CAS Name: 2-[4-(6-methyloctoxy)phenyl]-5-pyrimidinecarboxylic acid 3-pentoxypropyl ester IUPAC Name: 3-pentoxypropyl 2-[4-(6-methyloctoxy)phenyl]pyrimidine-5-carboxylate Traditional Name: 2-[4-(6-methyloctoxy)phenyl]pyrimidine-5-carboxylic acid 3-amoxypropyl ester Formula: C28H42N2O4 MolecularWeight: 470.64408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H42N2O4/c1-4-6-9-17-32-18-11-20-34-28(31)25-21-29-27(30-22-25)24-13-15-26(16-14-24)33-19-10-7-8-12-23(3)5-2/h13-16,21-23H,4-12,17-20H2,1-3H3