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

Systemtic Name: 1-[4-(5-butoxypyrimidin-2-yl)phenyl]propan-2-yl pentanoate Openeye Name: [2-[4-(5-butoxypyrimidin-2-yl)phenyl]-1-methyl-ethyl] pentanoate CAS Name: pentanoic acid 1-[4-(5-butoxy-2-pyrimidinyl)phenyl]propan-2-yl ester IUPAC Name: 1-[4-(5-butoxypyrimidin-2-yl)phenyl]propan-2-yl pentanoate Traditional Name: valeric acid [2-[4-(5-butoxypyrimidin-2-yl)phenyl]-1-methyl-ethyl] ester Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O3/c1-4-6-8-21(25)27-17(3)14-18-9-11-19(12-10-18)22-23-15-20(16-24-22)26-13-7-5-2/h9-12,15-17H,4-8,13-14H2,1-3H3