4-[[(5-fluoranyl-2-oxidanyl-phenyl)-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]amino]butanoic acid

Systemtic Name: 4-[[(5-fluoranyl-2-oxidanyl-phenyl)-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]amino]butanoic acid Openeye Name: 4-[[(5-fluoro-2-hydroxy-phenyl)-(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]butanoic acid CAS Name: 4-[[(5-fluoro-2-hydroxyphenyl)-(4-oxo-1-cyclohexa-2,5-dienylidene)methyl]amino]butanoic acid IUPAC Name: 4-[[(5-fluoro-2-hydroxyphenyl)-(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]butanoic acid Traditional Name: 4-[[(5-fluoro-2-hydroxy-phenyl)-(4-ketocyclohexa-2,5-dien-1-ylidene)methyl]amino]butyric acid Formula: C17H16FNO4 MolecularWeight: 317.311643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=C(C2=C(C=CC(=C2)F)O)NCCCC(=O)O

Isomeric SMILES

C1=CC(=O)C=CC1=C(C2=C(C=CC(=C2)F)O)NCCCC(=O)O

InChI

InChI=1S/C17H16FNO4/c18-12-5-8-15(21)14(10-12)17(19-9-1-2-16(22)23)11-3-6-13(20)7-4-11/h3-8,10,19,21H,1-2,9H2,(H,22,23)