5-fluoranyl-2-[2-[(4-methylphenyl)amino]ethanoylamino]benzoic acid

Systemtic Name: 5-fluoranyl-2-[2-[(4-methylphenyl)amino]ethanoylamino]benzoic acid Openeye Name: 5-fluoro-2-[[2-(4-methylanilino)acetyl]amino]benzoic acid CAS Name: 5-fluoro-2-[[2-(4-methylanilino)-1-oxoethyl]amino]benzoic acid IUPAC Name: 5-fluoro-2-[[2-(4-methylanilino)acetyl]amino]benzoic acid Traditional Name: 5-fluoro-2-[[2-(p-toluidino)acetyl]amino]benzoic acid Formula: C16H15FN2O3 MolecularWeight: 302.300303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NCC(=O)NC2=C(C=C(C=C2)F)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NCC(=O)NC2=C(C=C(C=C2)F)C(=O)O

InChI

InChI=1S/C16H15FN2O3/c1-10-2-5-12(6-3-10)18-9-15(20)19-14-7-4-11(17)8-13(14)16(21)22/h2-8,18H,9H2,1H3,(H,19,20)(H,21,22)