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

Systemtic Name: [4-(2-methylbutyl)phenyl] 4-(5-nonylpyrimidin-2-yl)benzoate Openeye Name: [4-(2-methylbutyl)phenyl] 4-(5-nonylpyrimidin-2-yl)benzoate CAS Name: 4-(5-nonyl-2-pyrimidinyl)benzoic acid [4-(2-methylbutyl)phenyl] ester IUPAC Name: [4-(2-methylbutyl)phenyl] 4-(5-nonylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-nonylpyrimidin-2-yl)benzoic acid [4-(2-methylbutyl)phenyl] ester Formula: C31H40N2O2 MolecularWeight: 472.6615

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CC(C)CC

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CC(C)CC

InChI

InChI=1S/C31H40N2O2/c1-4-6-7-8-9-10-11-12-26-22-32-30(33-23-26)27-15-17-28(18-16-27)31(34)35-29-19-13-25(14-20-29)21-24(3)5-2/h13-20,22-24H,4-12,21H2,1-3H3