4-methylhexyl 2-[4-(4-ethylphenyl)phenyl]pyrimidine-5-carboxylate

Systemtic Name: 4-methylhexyl 2-[4-(4-ethylphenyl)phenyl]pyrimidine-5-carboxylate Openeye Name: 4-methylhexyl 2-[4-(4-ethylphenyl)phenyl]pyrimidine-5-carboxylate CAS Name: 2-[4-(4-ethylphenyl)phenyl]-5-pyrimidinecarboxylic acid 4-methylhexyl ester IUPAC Name: 4-methylhexyl 2-[4-(4-ethylphenyl)phenyl]pyrimidine-5-carboxylate Traditional Name: 2-[4-(4-ethylphenyl)phenyl]pyrimidine-5-carboxylic acid 4-methylhexyl ester Formula: C26H30N2O2 MolecularWeight: 402.5286

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)C(=O)OCCCC(C)CC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)C(=O)OCCCC(C)CC

InChI

InChI=1S/C26H30N2O2/c1-4-19(3)7-6-16-30-26(29)24-17-27-25(28-18-24)23-14-12-22(13-15-23)21-10-8-20(5-2)9-11-21/h8-15,17-19H,4-7,16H2,1-3H3