4-[[2-(4-tert-butylphenyl)-4-oxidanylidene-3,1-benzoxazin-6-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[2-(4-tert-butylphenyl)-4-oxidanylidene-3,1-benzoxazin-6-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[2-(4-tert-butylphenyl)-4-oxo-3,1-benzoxazin-6-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[2-(4-tert-butylphenyl)-4-oxo-3,1-benzoxazin-6-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[2-(4-tert-butylphenyl)-4-oxo-3,1-benzoxazin-6-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[2-(4-tert-butylphenyl)-4-keto-3,1-benzoxazin-6-yl]amino]-4-keto-butyric acid Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O5/c1-22(2,3)14-6-4-13(5-7-14)20-24-17-9-8-15(12-16(17)21(28)29-20)23-18(25)10-11-19(26)27/h4-9,12H,10-11H2,1-3H3,(H,23,25)(H,26,27)