(2-chloranylquinolin-3-yl)methyl 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoate

Systemtic Name: (2-chloranylquinolin-3-yl)methyl 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoate Openeye Name: (2-chloro-3-quinolyl)methyl 3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)propanoate CAS Name: 3-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]propanoic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl 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-chloro-3-quinolyl)methyl ester Formula: C22H26ClN3O2 MolecularWeight: 399.91374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C)C)CCC(=O)OCC2=CC3=CC=CC=C3N=C2Cl

Isomeric SMILES

CC1=C(C(=NN1CC(C)C)C)CCC(=O)OCC2=CC3=CC=CC=C3N=C2Cl

InChI

InChI=1S/C22H26ClN3O2/c1-14(2)12-26-16(4)19(15(3)25-26)9-10-21(27)28-13-18-11-17-7-5-6-8-20(17)24-22(18)23/h5-8,11,14H,9-10,12-13H2,1-4H3