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

Systemtic Name: heptyl 2-(6-methyloctoxy)-4-phenyl-pyrimidine-5-carboxylate Openeye Name: heptyl 2-(6-methyloctoxy)-4-phenyl-pyrimidine-5-carboxylate CAS Name: 2-(6-methyloctoxy)-4-phenyl-5-pyrimidinecarboxylic acid heptyl ester IUPAC Name: heptyl 2-(6-methyloctoxy)-4-phenylpyrimidine-5-carboxylate Traditional Name: 2-(6-methyloctoxy)-4-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=C1C2=CC=CC=C2)OCCCCCC(C)CC

Isomeric SMILES

CCCCCCCOC(=O)C1=CN=C(N=C1C2=CC=CC=C2)OCCCCCC(C)CC

InChI

InChI=1S/C27H40N2O3/c1-4-6-7-8-14-19-31-26(30)24-21-28-27(29-25(24)23-17-12-9-13-18-23)32-20-15-10-11-16-22(3)5-2/h9,12-13,17-18,21-22H,4-8,10-11,14-16,19-20H2,1-3H3