3-[[3-[(4-ethanoyl-3-fluoranyl-phenoxy)methyl]phenyl]amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[3-[(4-ethanoyl-3-fluoranyl-phenoxy)methyl]phenyl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[3-[(4-acetyl-3-fluoro-phenoxy)methyl]anilino]-3-oxo-propanoic acid CAS Name: 3-[3-[(4-acetyl-3-fluorophenoxy)methyl]anilino]-3-oxopropanoic acid IUPAC Name: 3-[3-[(4-acetyl-3-fluorophenoxy)methyl]anilino]-3-oxopropanoic acid Traditional Name: 3-[3-[(4-acetyl-3-fluoro-phenoxy)methyl]anilino]-3-keto-propionic acid Formula: C18H16FNO5 MolecularWeight: 345.321743

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C=C1)OCC2=CC(=CC=C2)NC(=O)CC(=O)O)F

Isomeric SMILES

CC(=O)C1=C(C=C(C=C1)OCC2=CC(=CC=C2)NC(=O)CC(=O)O)F

InChI

InChI=1S/C18H16FNO5/c1-11(21)15-6-5-14(8-16(15)19)25-10-12-3-2-4-13(7-12)20-17(22)9-18(23)24/h2-8H,9-10H2,1H3,(H,20,22)(H,23,24)