2-methylbutyl 2-[4-(5-butylpyrimidin-2-yl)phenyl]propanoate

Systemtic Name: 2-methylbutyl 2-[4-(5-butylpyrimidin-2-yl)phenyl]propanoate Openeye Name: 2-methylbutyl 2-[4-(5-butylpyrimidin-2-yl)phenyl]propanoate CAS Name: 2-[4-(5-butyl-2-pyrimidinyl)phenyl]propanoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 2-[4-(5-butylpyrimidin-2-yl)phenyl]propanoate Traditional Name: 2-[4-(5-butylpyrimidin-2-yl)phenyl]propionic acid 2-methylbutyl ester Formula: C22H30N2O2 MolecularWeight: 354.4858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O2/c1-5-7-8-18-13-23-21(24-14-18)20-11-9-19(10-12-20)17(4)22(25)26-15-16(3)6-2/h9-14,16-17H,5-8,15H2,1-4H3