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

Systemtic Name: 3-benzamido-4-[4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]benzoic acid Openeye Name: 3-benzamido-4-[4-[2-(4-fluoroanilino)-2-oxo-ethyl]piperazin-1-yl]benzoic acid CAS Name: 3-benzamido-4-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1-piperazinyl]benzoic acid IUPAC Name: 3-benzamido-4-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid Traditional Name: 3-benzamido-4-[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)C(=O)O)NC(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H25FN4O4/c27-20-7-9-21(10-8-20)28-24(32)17-30-12-14-31(15-13-30)23-11-6-19(26(34)35)16-22(23)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)