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

Systemtic Name: undecyl 2-[4-(6-methyloctoxy)phenyl]pyrimidine-5-carboxylate Openeye Name: undecyl 2-[4-(6-methyloctoxy)phenyl]pyrimidine-5-carboxylate CAS Name: 2-[4-(6-methyloctoxy)phenyl]-5-pyrimidinecarboxylic acid undecyl ester IUPAC Name: undecyl 2-[4-(6-methyloctoxy)phenyl]pyrimidine-5-carboxylate Traditional Name: 2-[4-(6-methyloctoxy)phenyl]pyrimidine-5-carboxylic acid undecyl ester Formula: C31H48N2O3 MolecularWeight: 496.72442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H48N2O3/c1-4-6-7-8-9-10-11-12-15-23-36-31(34)28-24-32-30(33-25-28)27-18-20-29(21-19-27)35-22-16-13-14-17-26(3)5-2/h18-21,24-26H,4-17,22-23H2,1-3H3