2-methylbutyl 4-[[4-(5-decylpyrimidin-2-yl)phenyl]-oxidanyl-methyl]benzoate

Systemtic Name: 2-methylbutyl 4-[[4-(5-decylpyrimidin-2-yl)phenyl]-oxidanyl-methyl]benzoate Openeye Name: 2-methylbutyl 4-[[4-(5-decylpyrimidin-2-yl)phenyl]-hydroxy-methyl]benzoate CAS Name: 4-[[4-(5-decyl-2-pyrimidinyl)phenyl]-hydroxymethyl]benzoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 4-[[4-(5-decylpyrimidin-2-yl)phenyl]-hydroxymethyl]benzoate Traditional Name: 4-[[4-(5-decylpyrimidin-2-yl)phenyl]-hydroxy-methyl]benzoic acid 2-methylbutyl ester Formula: C33H44N2O3 MolecularWeight: 516.71406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)C(=O)OCC(C)CC)O

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)C(=O)OCC(C)CC)O

InChI

InChI=1S/C33H44N2O3/c1-4-6-7-8-9-10-11-12-13-26-22-34-32(35-23-26)29-18-14-27(15-19-29)31(36)28-16-20-30(21-17-28)33(37)38-24-25(3)5-2/h14-23,25,31,36H,4-13,24H2,1-3H3