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

Systemtic Name: 2-methylbutyl 4-[[4-(5-butylpyrimidin-2-yl)phenyl]-oxidanyl-methyl]benzoate Openeye Name: 2-methylbutyl 4-[[4-(5-butylpyrimidin-2-yl)phenyl]-hydroxy-methyl]benzoate CAS Name: 4-[[4-(5-butyl-2-pyrimidinyl)phenyl]-hydroxymethyl]benzoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 4-[[4-(5-butylpyrimidin-2-yl)phenyl]-hydroxymethyl]benzoate Traditional Name: 4-[[4-(5-butylpyrimidin-2-yl)phenyl]-hydroxy-methyl]benzoic acid 2-methylbutyl ester Formula: C27H32N2O3 MolecularWeight: 432.55458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)C(=O)OCC(C)CC)O

Isomeric SMILES

CCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)C(=O)OCC(C)CC)O

InChI

InChI=1S/C27H32N2O3/c1-4-6-7-20-16-28-26(29-17-20)23-12-8-21(9-13-23)25(30)22-10-14-24(15-11-22)27(31)32-18-19(3)5-2/h8-17,19,25,30H,4-7,18H2,1-3H3