1-ethyl-4-[[3-(2-methylpropoxy)phenyl]methylamino]pyrazole-3-carboxylic acid

Systemtic Name: 1-ethyl-4-[[3-(2-methylpropoxy)phenyl]methylamino]pyrazole-3-carboxylic acid Openeye Name: 1-ethyl-4-[(3-isobutoxyphenyl)methylamino]pyrazole-3-carboxylic acid CAS Name: 1-ethyl-4-[[3-(2-methylpropoxy)phenyl]methylamino]-3-pyrazolecarboxylic acid IUPAC Name: 1-ethyl-4-[[3-(2-methylpropoxy)phenyl]methylamino]pyrazole-3-carboxylic acid Traditional Name: 1-ethyl-4-[(3-isobutoxybenzyl)amino]pyrazole-3-carboxylic acid Formula: C17H23N3O3 MolecularWeight: 317.38282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)O)NCC2=CC(=CC=C2)OCC(C)C

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)O)NCC2=CC(=CC=C2)OCC(C)C

InChI

InChI=1S/C17H23N3O3/c1-4-20-10-15(16(19-20)17(21)22)18-9-13-6-5-7-14(8-13)23-11-12(2)3/h5-8,10,12,18H,4,9,11H2,1-3H3,(H,21,22)