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

Systemtic Name: pentyl 2-[4-(6-methyloctoxy)phenyl]pyrimidine-5-carboxylate Openeye Name: pentyl 2-[4-(6-methyloctoxy)phenyl]pyrimidine-5-carboxylate CAS Name: 2-[4-(6-methyloctoxy)phenyl]-5-pyrimidinecarboxylic acid pentyl ester IUPAC Name: pentyl 2-[4-(6-methyloctoxy)phenyl]pyrimidine-5-carboxylate Traditional Name: 2-[4-(6-methyloctoxy)phenyl]pyrimidine-5-carboxylic acid amyl ester Formula: C25H36N2O3 MolecularWeight: 412.56494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O3/c1-4-6-9-17-30-25(28)22-18-26-24(27-19-22)21-12-14-23(15-13-21)29-16-10-7-8-11-20(3)5-2/h12-15,18-20H,4-11,16-17H2,1-3H3