5-methyl-2-[4-oxidanylidene-4-[(1-phenylpyrazol-3-yl)amino]butan-2-yl]hexanoic acid

Systemtic Name: 5-methyl-2-[4-oxidanylidene-4-[(1-phenylpyrazol-3-yl)amino]butan-2-yl]hexanoic acid Openeye Name: 5-methyl-2-[1-methyl-3-oxo-3-[(1-phenylpyrazol-3-yl)amino]propyl]hexanoic acid CAS Name: 5-methyl-2-[4-oxo-4-[(1-phenyl-3-pyrazolyl)amino]butan-2-yl]hexanoic acid IUPAC Name: 5-methyl-2-[4-oxo-4-[(1-phenylpyrazol-3-yl)amino]butan-2-yl]hexanoic acid Traditional Name: 2-[3-keto-1-methyl-3-[(1-phenylpyrazol-3-yl)amino]propyl]-5-methyl-hexanoic acid Formula: C20H27N3O3 MolecularWeight: 357.44668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C(C)CC(=O)NC1=NN(C=C1)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)CCC(C(C)CC(=O)NC1=NN(C=C1)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H27N3O3/c1-14(2)9-10-17(20(25)26)15(3)13-19(24)21-18-11-12-23(22-18)16-7-5-4-6-8-16/h4-8,11-12,14-15,17H,9-10,13H2,1-3H3,(H,25,26)(H,21,22,24)