2-[4,6-bis(phenylmethyl)pyrimidin-5-yl]ethyl 2-ethylhexanoate

Systemtic Name: 2-[4,6-bis(phenylmethyl)pyrimidin-5-yl]ethyl 2-ethylhexanoate Openeye Name: 2-(4,6-dibenzylpyrimidin-5-yl)ethyl 2-ethylhexanoate CAS Name: 2-ethylhexanoic acid 2-[4,6-bis(phenylmethyl)-5-pyrimidinyl]ethyl ester IUPAC Name: 2-(4,6-dibenzylpyrimidin-5-yl)ethyl 2-ethylhexanoate Traditional Name: 2-ethylhexanoic acid 2-(4,6-dibenzylpyrimidin-5-yl)ethyl ester Formula: C28H34N2O2 MolecularWeight: 430.58176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)OCCC1=C(N=CN=C1CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCCCC(CC)C(=O)OCCC1=C(N=CN=C1CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C28H34N2O2/c1-3-5-16-24(4-2)28(31)32-18-17-25-26(19-22-12-8-6-9-13-22)29-21-30-27(25)20-23-14-10-7-11-15-23/h6-15,21,24H,3-5,16-20H2,1-2H3