(2-benzamido-2-oxidanylidene-ethyl) 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoate Openeye Name: (2-benzamido-2-oxo-ethyl) 3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)propanoate CAS Name: 3-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]propanoic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoate Traditional Name: 3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)propionic acid (2-benzamido-2-keto-ethyl) ester Formula: C21H27N3O4 MolecularWeight: 385.45678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C)C)CCC(=O)OCC(=O)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=NN1CC(C)C)C)CCC(=O)OCC(=O)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H27N3O4/c1-14(2)12-24-16(4)18(15(3)23-24)10-11-20(26)28-13-19(25)22-21(27)17-8-6-5-7-9-17/h5-9,14H,10-13H2,1-4H3,(H,22,25,27)