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

Systemtic Name: octan-2-yl 3-[4-(5-propylpyrimidin-2-yl)phenyl]butanoate Openeye Name: 1-methylheptyl 3-[4-(5-propylpyrimidin-2-yl)phenyl]butanoate CAS Name: 3-[4-(5-propyl-2-pyrimidinyl)phenyl]butanoic acid octan-2-yl ester IUPAC Name: octan-2-yl 3-[4-(5-propylpyrimidin-2-yl)phenyl]butanoate Traditional Name: 3-[4-(5-propylpyrimidin-2-yl)phenyl]butyric acid 1-methylheptyl ester Formula: C25H36N2O2 MolecularWeight: 396.56554

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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)CCC

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O2/c1-5-7-8-9-11-20(4)29-24(28)16-19(3)22-12-14-23(15-13-22)25-26-17-21(10-6-2)18-27-25/h12-15,17-20H,5-11,16H2,1-4H3