tert-butyl 4-[[6-oxidanyl-3,4-bis(oxidanylidene)-5-tridecyl-cyclohexa-1,5-dien-1-yl]amino]butanoate

Systemtic Name: tert-butyl 4-[[6-oxidanyl-3,4-bis(oxidanylidene)-5-tridecyl-cyclohexa-1,5-dien-1-yl]amino]butanoate Openeye Name: tert-butyl 4-[(6-hydroxy-3,4-dioxo-5-tridecyl-cyclohexa-1,5-dien-1-yl)amino]butanoate CAS Name: 4-[(6-hydroxy-3,4-dioxo-5-tridecyl-1-cyclohexa-1,5-dienyl)amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(6-hydroxy-3,4-dioxo-5-tridecylcyclohexa-1,5-dien-1-yl)amino]butanoate Traditional Name: 4-[(6-hydroxy-3,4-diketo-5-tridecyl-cyclohexa-1,5-dien-1-yl)amino]butyric acid tert-butyl ester Formula: C27H45NO5 MolecularWeight: 463.6499

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=C(C(=CC(=O)C1=O)NCCCC(=O)OC(C)(C)C)O

Isomeric SMILES

CCCCCCCCCCCCCC1=C(C(=CC(=O)C1=O)NCCCC(=O)OC(C)(C)C)O

InChI

InChI=1S/C27H45NO5/c1-5-6-7-8-9-10-11-12-13-14-15-17-21-25(31)22(20-23(29)26(21)32)28-19-16-18-24(30)33-27(2,3)4/h20,28,31H,5-19H2,1-4H3