2-ethyl-3-oxidanylidene-hexanoic acid; 2-[(4-methoxyphenyl)methyl]-5-propyl-4H-pyrazol-3-one

Systemtic Name: 2-ethyl-3-oxidanylidene-hexanoic acid; 2-[(4-methoxyphenyl)methyl]-5-propyl-4H-pyrazol-3-one Openeye Name: 2-ethyl-3-oxo-hexanoic acid; 2-[(4-methoxyphenyl)methyl]-5-propyl-4H-pyrazol-3-one CAS Name: 2-ethyl-3-oxohexanoic acid; 2-[(4-methoxyphenyl)methyl]-5-propyl-4H-pyrazol-3-one IUPAC Name: 2-ethyl-3-oxohexanoic acid; 2-[(4-methoxyphenyl)methyl]-5-propyl-4H-pyrazol-3-one Traditional Name: 2-ethyl-3-keto-hexanoic acid; 2-p-anisyl-5-propyl-2-pyrazolin-3-one Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1)CC2=CC=C(C=C2)OC.CCCC(=O)C(CC)C(=O)O

Isomeric SMILES

CCCC1=NN(C(=O)C1)CC2=CC=C(C=C2)OC.CCCC(=O)C(CC)C(=O)O

InChI

InChI=1S/C14H18N2O2.C8H14O3/c1-3-4-12-9-14(17)16(15-12)10-11-5-7-13(18-2)8-6-11;1-3-5-7(9)6(4-2)8(10)11/h5-8H,3-4,9-10H2,1-2H3;6H,3-5H2,1-2H3,(H,10,11)