3-acetamido-4-[4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]benzoic acid

Systemtic Name: 3-acetamido-4-[4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]benzoic acid Openeye Name: 3-acetamido-4-[4-[2-(4-fluoroanilino)-2-oxo-ethyl]piperazin-1-yl]benzoic acid CAS Name: 3-acetamido-4-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1-piperazinyl]benzoic acid IUPAC Name: 3-acetamido-4-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid Traditional Name: 3-acetamido-4-[4-[2-(4-fluoroanilino)-2-keto-ethyl]piperazino]benzoic acid Formula: C21H23FN4O4 MolecularWeight: 414.430123

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)O)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)O)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H23FN4O4/c1-14(27)23-18-12-15(21(29)30)2-7-19(18)26-10-8-25(9-11-26)13-20(28)24-17-5-3-16(22)4-6-17/h2-7,12H,8-11,13H2,1H3,(H,23,27)(H,24,28)(H,29,30)