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

Systemtic Name: 2-methylbutyl 4-[[4-(5-heptylpyrimidin-2-yl)phenyl]-oxidanyl-methyl]benzoate Openeye Name: 2-methylbutyl 4-[[4-(5-heptylpyrimidin-2-yl)phenyl]-hydroxy-methyl]benzoate CAS Name: 4-[[4-(5-heptyl-2-pyrimidinyl)phenyl]-hydroxymethyl]benzoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 4-[[4-(5-heptylpyrimidin-2-yl)phenyl]-hydroxymethyl]benzoate Traditional Name: 4-[[4-(5-heptylpyrimidin-2-yl)phenyl]-hydroxy-methyl]benzoic acid 2-methylbutyl ester Formula: C30H38N2O3 MolecularWeight: 474.63432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)C(=O)OCC(C)CC)O

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)C(=O)OCC(C)CC)O

InChI

InChI=1S/C30H38N2O3/c1-4-6-7-8-9-10-23-19-31-29(32-20-23)26-15-11-24(12-16-26)28(33)25-13-17-27(18-14-25)30(34)35-21-22(3)5-2/h11-20,22,28,33H,4-10,21H2,1-3H3