4-[[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[5-tert-butyl-2-(4-methoxyphenyl)-3-pyrazolyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]amino]-4-keto-butyric acid Formula: C18H23N3O4 MolecularWeight: 345.39292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)CCC(=O)O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)CCC(=O)O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H23N3O4/c1-18(2,3)14-11-15(19-16(22)9-10-17(23)24)21(20-14)12-5-7-13(25-4)8-6-12/h5-8,11H,9-10H2,1-4H3,(H,19,22)(H,23,24)