4-[[4-[(1-tert-butyl-5-phenyl-pyrazol-3-yl)methoxy]phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-[(1-tert-butyl-5-phenyl-pyrazol-3-yl)methoxy]phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[(1-tert-butyl-5-phenyl-pyrazol-3-yl)methoxy]anilino]-4-oxo-butanoic acid CAS Name: 4-[4-[(1-tert-butyl-5-phenyl-3-pyrazolyl)methoxy]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-[(1-tert-butyl-5-phenylpyrazol-3-yl)methoxy]anilino]-4-oxobutanoic acid Traditional Name: 4-[4-[(1-tert-butyl-5-phenyl-pyrazol-3-yl)methoxy]anilino]-4-keto-butyric acid Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=CC(=N1)COC2=CC=C(C=C2)NC(=O)CCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)N1C(=CC(=N1)COC2=CC=C(C=C2)NC(=O)CCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C24H27N3O4/c1-24(2,3)27-21(17-7-5-4-6-8-17)15-19(26-27)16-31-20-11-9-18(10-12-20)25-22(28)13-14-23(29)30/h4-12,15H,13-14,16H2,1-3H3,(H,25,28)(H,29,30)