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

Systemtic Name: 2-ethyl-3-oxidanylidene-hexanoic acid; 2-[(2-propoxyphenyl)methyl]-5-propyl-4H-pyrazol-3-one Openeye Name: 2-ethyl-3-oxo-hexanoic acid; 2-[(2-propoxyphenyl)methyl]-5-propyl-4H-pyrazol-3-one CAS Name: 2-ethyl-3-oxohexanoic acid; 2-[(2-propoxyphenyl)methyl]-5-propyl-4H-pyrazol-3-one IUPAC Name: 2-ethyl-3-oxohexanoic acid; 2-[(2-propoxyphenyl)methyl]-5-propyl-4H-pyrazol-3-one Traditional Name: 2-ethyl-3-keto-hexanoic acid; 2-(2-propoxybenzyl)-5-propyl-2-pyrazolin-3-one Formula: C24H36N2O5 MolecularWeight: 432.55304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1)CC2=CC=CC=C2OCCC.CCCC(=O)C(CC)C(=O)O

Isomeric SMILES

CCCC1=NN(C(=O)C1)CC2=CC=CC=C2OCCC.CCCC(=O)C(CC)C(=O)O

InChI

InChI=1S/C16H22N2O2.C8H14O3/c1-3-7-14-11-16(19)18(17-14)12-13-8-5-6-9-15(13)20-10-4-2;1-3-5-7(9)6(4-2)8(10)11/h5-6,8-9H,3-4,7,10-12H2,1-2H3;6H,3-5H2,1-2H3,(H,10,11)