octan-2-yl 3-[4-(5-butylpyrimidin-2-yl)phenyl]butanoate

Systemtic Name: octan-2-yl 3-[4-(5-butylpyrimidin-2-yl)phenyl]butanoate Openeye Name: 1-methylheptyl 3-[4-(5-butylpyrimidin-2-yl)phenyl]butanoate CAS Name: 3-[4-(5-butyl-2-pyrimidinyl)phenyl]butanoic acid octan-2-yl ester IUPAC Name: octan-2-yl 3-[4-(5-butylpyrimidin-2-yl)phenyl]butanoate Traditional Name: 3-[4-(5-butylpyrimidin-2-yl)phenyl]butyric acid 1-methylheptyl ester Formula: C26H38N2O2 MolecularWeight: 410.59212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)CC(C)C1=CC=C(C=C1)C2=NC=C(C=N2)CCCC

Isomeric SMILES

CCCCCCC(C)OC(=O)CC(C)C1=CC=C(C=C1)C2=NC=C(C=N2)CCCC

InChI

InChI=1S/C26H38N2O2/c1-5-7-9-10-11-21(4)30-25(29)17-20(3)23-13-15-24(16-14-23)26-27-18-22(19-28-26)12-8-6-2/h13-16,18-21H,5-12,17H2,1-4H3