2-methylbutyl 5-heptyl-4-phenyl-pyrimidine-2-carboxylate

Systemtic Name: 2-methylbutyl 5-heptyl-4-phenyl-pyrimidine-2-carboxylate Openeye Name: 2-methylbutyl 5-heptyl-4-phenyl-pyrimidine-2-carboxylate CAS Name: 5-heptyl-4-phenyl-2-pyrimidinecarboxylic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 5-heptyl-4-phenylpyrimidine-2-carboxylate Traditional Name: 5-heptyl-4-phenyl-pyrimidine-2-carboxylic acid 2-methylbutyl ester Formula: C23H32N2O2 MolecularWeight: 368.51238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1C2=CC=CC=C2)C(=O)OCC(C)CC

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1C2=CC=CC=C2)C(=O)OCC(C)CC

InChI

InChI=1S/C23H32N2O2/c1-4-6-7-8-10-15-20-16-24-22(23(26)27-17-18(3)5-2)25-21(20)19-13-11-9-12-14-19/h9,11-14,16,18H,4-8,10,15,17H2,1-3H3