1-[4-(5-propoxypyrimidin-2-yl)phenyl]propan-2-yl pentanoate

Systemtic Name: 1-[4-(5-propoxypyrimidin-2-yl)phenyl]propan-2-yl pentanoate Openeye Name: [1-methyl-2-[4-(5-propoxypyrimidin-2-yl)phenyl]ethyl] pentanoate CAS Name: pentanoic acid 1-[4-(5-propoxy-2-pyrimidinyl)phenyl]propan-2-yl ester IUPAC Name: 1-[4-(5-propoxypyrimidin-2-yl)phenyl]propan-2-yl pentanoate Traditional Name: valeric acid [1-methyl-2-[4-(5-propoxypyrimidin-2-yl)phenyl]ethyl] ester Formula: C21H28N2O3 MolecularWeight: 356.45862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC(C)CC1=CC=C(C=C1)C2=NC=C(C=N2)OCCC

Isomeric SMILES

CCCCC(=O)OC(C)CC1=CC=C(C=C1)C2=NC=C(C=N2)OCCC

InChI

InChI=1S/C21H28N2O3/c1-4-6-7-20(24)26-16(3)13-17-8-10-18(11-9-17)21-22-14-19(15-23-21)25-12-5-2/h8-11,14-16H,4-7,12-13H2,1-3H3