2-[[4-[(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino]phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[4-[(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino]phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-[(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino]benzoyl]amino]acetic acid CAS Name: 2-[[[4-[(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]benzoyl]amino]acetic acid Traditional Name: 2-[[4-[(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)amino]benzoyl]amino]acetic acid Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NC2=CC=C(C=C2)C(=O)NCC(=O)O)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=NC2=CC=C(C=C2)C(=O)NCC(=O)O)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C23H28N2O4/c1-22(2,3)17-11-16(12-18(20(17)28)23(4,5)6)25-15-9-7-14(8-10-15)21(29)24-13-19(26)27/h7-12H,13H2,1-6H3,(H,24,29)(H,26,27)