4-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]amino]-4-oxo-butanoate CAS Name: 4-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]amino]-4-oxobutanoate Traditional Name: 4-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]amino]-4-keto-butyrate Formula: C21H21N2O4- MolecularWeight: 365.40244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=C(C=C3)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=C(C=C3)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C21H22N2O4/c1-21(2,3)14-6-4-13(5-7-14)20-23-16-9-8-15(12-17(16)27-20)22-18(24)10-11-19(25)26/h4-9,12H,10-11H2,1-3H3,(H,22,24)(H,25,26)/p-1