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

Systemtic Name: heptyl 2-[4-(6-methyloctoxy)phenyl]pyrimidine-5-carboxylate Openeye Name: heptyl 2-[4-(6-methyloctoxy)phenyl]pyrimidine-5-carboxylate CAS Name: 2-[4-(6-methyloctoxy)phenyl]-5-pyrimidinecarboxylic acid heptyl ester IUPAC Name: heptyl 2-[4-(6-methyloctoxy)phenyl]pyrimidine-5-carboxylate Traditional Name: 2-[4-(6-methyloctoxy)phenyl]pyrimidine-5-carboxylic acid heptyl ester Formula: C27H40N2O3 MolecularWeight: 440.6181

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N2O3/c1-4-6-7-8-11-19-32-27(30)24-20-28-26(29-21-24)23-14-16-25(17-15-23)31-18-12-9-10-13-22(3)5-2/h14-17,20-22H,4-13,18-19H2,1-3H3