2-[2-[[4-(3,5-ditert-butylpyrazol-1-yl)phenyl]amino]-2-oxidanylidene-ethoxy]ethanoic acid

Systemtic Name: 2-[2-[[4-(3,5-ditert-butylpyrazol-1-yl)phenyl]amino]-2-oxidanylidene-ethoxy]ethanoic acid Openeye Name: 2-[2-[4-(3,5-ditert-butylpyrazol-1-yl)anilino]-2-oxo-ethoxy]acetic acid CAS Name: 2-[2-[4-(3,5-ditert-butyl-1-pyrazolyl)anilino]-2-oxoethoxy]acetic acid IUPAC Name: 2-[2-[4-(3,5-ditert-butylpyrazol-1-yl)anilino]-2-oxoethoxy]acetic acid Traditional Name: 2-[2-[4-(3,5-ditert-butylpyrazol-1-yl)anilino]-2-keto-ethoxy]acetic acid Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NN1C2=CC=C(C=C2)NC(=O)COCC(=O)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=NN1C2=CC=C(C=C2)NC(=O)COCC(=O)O)C(C)(C)C

InChI

InChI=1S/C21H29N3O4/c1-20(2,3)16-11-17(21(4,5)6)24(23-16)15-9-7-14(8-10-15)22-18(25)12-28-13-19(26)27/h7-11H,12-13H2,1-6H3,(H,22,25)(H,26,27)