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

Systemtic Name: 2-methylbutyl 4-[[4-(5-hexylpyrimidin-2-yl)phenyl]-oxidanyl-methyl]benzoate Openeye Name: 2-methylbutyl 4-[[4-(5-hexylpyrimidin-2-yl)phenyl]-hydroxy-methyl]benzoate CAS Name: 4-[[4-(5-hexyl-2-pyrimidinyl)phenyl]-hydroxymethyl]benzoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 4-[[4-(5-hexylpyrimidin-2-yl)phenyl]-hydroxymethyl]benzoate Traditional Name: 4-[[4-(5-hexylpyrimidin-2-yl)phenyl]-hydroxy-methyl]benzoic acid 2-methylbutyl ester Formula: C29H36N2O3 MolecularWeight: 460.60774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)C(=O)OCC(C)CC)O

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)C(=O)OCC(C)CC)O

InChI

InChI=1S/C29H36N2O3/c1-4-6-7-8-9-22-18-30-28(31-19-22)25-14-10-23(11-15-25)27(32)24-12-16-26(17-13-24)29(33)34-20-21(3)5-2/h10-19,21,27,32H,4-9,20H2,1-3H3