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

Systemtic Name: 3-[4-[(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino]phenyl]propanoic acid Openeye Name: 3-[4-[(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino]phenyl]propanoic acid CAS Name: 3-[4-[(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino]phenyl]propanoic acid IUPAC Name: 3-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl]propanoic acid Traditional Name: 3-[4-[(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)amino]phenyl]propionic acid Formula: C23H29NO3 MolecularWeight: 367.48126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO3/c1-22(2,3)18-13-17(14-19(21(18)27)23(4,5)6)24-16-10-7-15(8-11-16)9-12-20(25)26/h7-8,10-11,13-14H,9,12H2,1-6H3,(H,25,26)