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

Systemtic Name: 1-[4-(5-butylpyrimidin-2-yl)phenyl]propan-2-yl pentanoate Openeye Name: [2-[4-(5-butylpyrimidin-2-yl)phenyl]-1-methyl-ethyl] pentanoate CAS Name: pentanoic acid 1-[4-(5-butyl-2-pyrimidinyl)phenyl]propan-2-yl ester IUPAC Name: 1-[4-(5-butylpyrimidin-2-yl)phenyl]propan-2-yl pentanoate Traditional Name: valeric acid [2-[4-(5-butylpyrimidin-2-yl)phenyl]-1-methyl-ethyl] ester Formula: C22H30N2O2 MolecularWeight: 354.4858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(N=C1)C2=CC=C(C=C2)CC(C)OC(=O)CCCC

Isomeric SMILES

CCCCC1=CN=C(N=C1)C2=CC=C(C=C2)CC(C)OC(=O)CCCC

InChI

InChI=1S/C22H30N2O2/c1-4-6-8-19-15-23-22(24-16-19)20-12-10-18(11-13-20)14-17(3)26-21(25)9-7-5-2/h10-13,15-17H,4-9,14H2,1-3H3