2-methylundecyl 4-[4-(5-nonylpyrimidin-2-yl)phenyl]benzoate

Systemtic Name: 2-methylundecyl 4-[4-(5-nonylpyrimidin-2-yl)phenyl]benzoate Openeye Name: 2-methylundecyl 4-[4-(5-nonylpyrimidin-2-yl)phenyl]benzoate CAS Name: 4-[4-(5-nonyl-2-pyrimidinyl)phenyl]benzoic acid 2-methylundecyl ester IUPAC Name: 2-methylundecyl 4-[4-(5-nonylpyrimidin-2-yl)phenyl]benzoate Traditional Name: 4-[4-(5-nonylpyrimidin-2-yl)phenyl]benzoic acid 2-methylundecyl ester Formula: C38H54N2O2 MolecularWeight: 570.84756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OCC(C)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OCC(C)CCCCCCCCC

InChI

InChI=1S/C38H54N2O2/c1-4-6-8-10-12-14-16-18-31(3)30-42-38(41)36-26-22-34(23-27-36)33-20-24-35(25-21-33)37-39-28-32(29-40-37)19-17-15-13-11-9-7-5-2/h20-29,31H,4-19,30H2,1-3H3