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

Systemtic Name: 5-benzamido-2-[4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]benzoic acid Openeye Name: 5-benzamido-2-[4-[2-(4-fluoroanilino)-2-oxo-ethyl]piperazin-1-yl]benzoic acid CAS Name: 5-benzamido-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1-piperazinyl]benzoic acid IUPAC Name: 5-benzamido-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid Traditional Name: 5-benzamido-2-[4-[2-(4-fluoroanilino)-2-keto-ethyl]piperazino]benzoic acid Formula: C26H25FN4O4 MolecularWeight: 476.499503

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=CC=C(C=C2)F)C3=C(C=C(C=C3)NC(=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=CC=C(C=C2)F)C3=C(C=C(C=C3)NC(=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H25FN4O4/c27-19-6-8-20(9-7-19)28-24(32)17-30-12-14-31(15-13-30)23-11-10-21(16-22(23)26(34)35)29-25(33)18-4-2-1-3-5-18/h1-11,16H,12-15,17H2,(H,28,32)(H,29,33)(H,34,35)