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

Systemtic Name: octan-2-yl 3-[4-(5-heptylpyrimidin-2-yl)phenyl]butanoate Openeye Name: 1-methylheptyl 3-[4-(5-heptylpyrimidin-2-yl)phenyl]butanoate CAS Name: 3-[4-(5-heptyl-2-pyrimidinyl)phenyl]butanoic acid octan-2-yl ester IUPAC Name: octan-2-yl 3-[4-(5-heptylpyrimidin-2-yl)phenyl]butanoate Traditional Name: 3-[4-(5-heptylpyrimidin-2-yl)phenyl]butyric acid 1-methylheptyl ester Formula: C29H44N2O2 MolecularWeight: 452.67186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)CC(=O)OC(C)CCCCCC

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)CC(=O)OC(C)CCCCCC

InChI

InChI=1S/C29H44N2O2/c1-5-7-9-11-13-15-25-21-30-29(31-22-25)27-18-16-26(17-19-27)23(3)20-28(32)33-24(4)14-12-10-8-6-2/h16-19,21-24H,5-15,20H2,1-4H3