2-[fluoranyl-[4-[(4-piperazin-1-ylphenyl)carbonylamino]phenyl]amino]-3-oxidanylidene-3-phenyl-propanoic acid

Systemtic Name: 2-[fluoranyl-[4-[(4-piperazin-1-ylphenyl)carbonylamino]phenyl]amino]-3-oxidanylidene-3-phenyl-propanoic acid Openeye Name: 2-[N-fluoro-4-[(4-piperazin-1-ylbenzoyl)amino]anilino]-3-oxo-3-phenyl-propanoic acid CAS Name: 2-[N-fluoro-4-[[oxo-[4-(1-piperazinyl)phenyl]methyl]amino]anilino]-3-oxo-3-phenylpropanoic acid IUPAC Name: 2-[N-fluoro-4-[(4-piperazin-1-ylbenzoyl)amino]anilino]-3-oxo-3-phenylpropanoic acid Traditional Name: 2-[N-fluoro-4-[(4-piperazinobenzoyl)amino]anilino]-3-keto-3-phenyl-propionic acid Formula: C26H25FN4O4 MolecularWeight: 476.499503

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)N(C(C(=O)C4=CC=CC=C4)C(=O)O)F

Isomeric SMILES

C1CN(CCN1)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)N(C(C(=O)C4=CC=CC=C4)C(=O)O)F

InChI

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