2-[[4-(4-methylpiperazin-1-yl)-3-phenoxy-phenyl]carbonylamino]benzoic acid

Systemtic Name: 2-[[4-(4-methylpiperazin-1-yl)-3-phenoxy-phenyl]carbonylamino]benzoic acid Openeye Name: 2-[[4-(4-methylpiperazin-1-yl)-3-phenoxy-benzoyl]amino]benzoic acid CAS Name: 2-[[[4-(4-methyl-1-piperazinyl)-3-phenoxyphenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[4-(4-methylpiperazin-1-yl)-3-phenoxybenzoyl]amino]benzoic acid Traditional Name: 2-[[4-(4-methylpiperazino)-3-phenoxy-benzoyl]amino]benzoic acid Formula: C25H25N3O4 MolecularWeight: 431.4837

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)O)OC4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)O)OC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O4/c1-27-13-15-28(16-14-27)22-12-11-18(17-23(22)32-19-7-3-2-4-8-19)24(29)26-21-10-6-5-9-20(21)25(30)31/h2-12,17H,13-16H2,1H3,(H,26,29)(H,30,31)