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

Systemtic Name: octyl 5-heptyl-4-phenyl-pyrimidine-2-carboxylate Openeye Name: octyl 5-heptyl-4-phenyl-pyrimidine-2-carboxylate CAS Name: 5-heptyl-4-phenyl-2-pyrimidinecarboxylic acid octyl ester IUPAC Name: octyl 5-heptyl-4-phenylpyrimidine-2-carboxylate Traditional Name: 5-heptyl-4-phenyl-pyrimidine-2-carboxylic acid octyl ester Formula: C26H38N2O2 MolecularWeight: 410.59212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=NC=C(C(=N1)C2=CC=CC=C2)CCCCCCC

Isomeric SMILES

CCCCCCCCOC(=O)C1=NC=C(C(=N1)C2=CC=CC=C2)CCCCCCC

InChI

InChI=1S/C26H38N2O2/c1-3-5-7-9-11-16-20-30-26(29)25-27-21-23(19-13-10-8-6-4-2)24(28-25)22-17-14-12-15-18-22/h12,14-15,17-18,21H,3-11,13,16,19-20H2,1-2H3