4-[[(Z)-(3-fluoranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]heptanoic acid

Systemtic Name: 4-[[(Z)-(3-fluoranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]heptanoic acid Openeye Name: 4-[[(Z)-(3-fluoro-6-oxo-cyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]heptanoic acid CAS Name: 4-[[(Z)-(3-fluoro-6-oxo-1-cyclohexa-2,4-dienylidene)-phenylmethyl]amino]heptanoic acid IUPAC Name: 4-[[(Z)-(3-fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)-phenylmethyl]amino]heptanoic acid Traditional Name: 4-[[(Z)-(3-fluoro-6-keto-cyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]enanthic acid Formula: C20H22FNO3 MolecularWeight: 343.391983

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC(=O)O)NC(=C1C=C(C=CC1=O)F)C2=CC=CC=C2

Isomeric SMILES

CCCC(CCC(=O)O)N/C(=C\1/C=C(C=CC1=O)F)/C2=CC=CC=C2

InChI

InChI=1S/C20H22FNO3/c1-2-6-16(10-12-19(24)25)22-20(14-7-4-3-5-8-14)17-13-15(21)9-11-18(17)23/h3-5,7-9,11,13,16,22H,2,6,10,12H2,1H3,(H,24,25)/b20-17-