4-[[6-oxidanyl-3,4-bis(oxidanylidene)-5-tridecyl-cyclohexa-1,5-dien-1-yl]amino]butanoic acid

Systemtic Name: 4-[[6-oxidanyl-3,4-bis(oxidanylidene)-5-tridecyl-cyclohexa-1,5-dien-1-yl]amino]butanoic acid Openeye Name: 4-[(6-hydroxy-3,4-dioxo-5-tridecyl-cyclohexa-1,5-dien-1-yl)amino]butanoic acid CAS Name: 4-[(6-hydroxy-3,4-dioxo-5-tridecyl-1-cyclohexa-1,5-dienyl)amino]butanoic acid IUPAC Name: 4-[(6-hydroxy-3,4-dioxo-5-tridecylcyclohexa-1,5-dien-1-yl)amino]butanoic acid Traditional Name: 4-[(6-hydroxy-3,4-diketo-5-tridecyl-cyclohexa-1,5-dien-1-yl)amino]butyric acid Formula: C23H37NO5 MolecularWeight: 407.54358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H37NO5/c1-2-3-4-5-6-7-8-9-10-11-12-14-18-22(28)19(17-20(25)23(18)29)24-16-13-15-21(26)27/h17,24,28H,2-16H2,1H3,(H,26,27)