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

Systemtic Name: octan-2-yl 3-[4-(5-propylpyrimidin-2-yl)phenyl]propanoate Openeye Name: 1-methylheptyl 3-[4-(5-propylpyrimidin-2-yl)phenyl]propanoate CAS Name: 3-[4-(5-propyl-2-pyrimidinyl)phenyl]propanoic acid octan-2-yl ester IUPAC Name: octan-2-yl 3-[4-(5-propylpyrimidin-2-yl)phenyl]propanoate Traditional Name: 3-[4-(5-propylpyrimidin-2-yl)phenyl]propionic acid 1-methylheptyl ester Formula: C24H34N2O2 MolecularWeight: 382.53896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)CCC1=CC=C(C=C1)C2=NC=C(C=N2)CCC

Isomeric SMILES

CCCCCCC(C)OC(=O)CCC1=CC=C(C=C1)C2=NC=C(C=N2)CCC

InChI

InChI=1S/C24H34N2O2/c1-4-6-7-8-10-19(3)28-23(27)16-13-20-11-14-22(15-12-20)24-25-17-21(9-5-2)18-26-24/h11-12,14-15,17-19H,4-10,13,16H2,1-3H3