2-[4-[[1-(4-tert-butylphenyl)-2-oxidanyl-2-oxidanylidene-ethyl]amino]phenyl]propanoic acid

Systemtic Name: 2-[4-[[1-(4-tert-butylphenyl)-2-oxidanyl-2-oxidanylidene-ethyl]amino]phenyl]propanoic acid Openeye Name: 2-[4-[[1-(4-tert-butylphenyl)-2-hydroxy-2-oxo-ethyl]amino]phenyl]propanoic acid CAS Name: 2-[4-[[1-(4-tert-butylphenyl)-2-hydroxy-2-oxoethyl]amino]phenyl]propanoic acid IUPAC Name: 2-[4-[[1-(4-tert-butylphenyl)-2-hydroxy-2-oxoethyl]amino]phenyl]propanoic acid Traditional Name: 2-[4-[[1-(4-tert-butylphenyl)-2-hydroxy-2-keto-ethyl]amino]phenyl]propionic acid Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4/c1-13(19(23)24)14-7-11-17(12-8-14)22-18(20(25)26)15-5-9-16(10-6-15)21(2,3)4/h5-13,18,22H,1-4H3,(H,23,24)(H,25,26)