2-[[4-(3,5-dimethylpiperazin-1-yl)-3-phenoxy-phenyl]carbonylamino]benzoic acid

Systemtic Name: 2-[[4-(3,5-dimethylpiperazin-1-yl)-3-phenoxy-phenyl]carbonylamino]benzoic acid Openeye Name: 2-[[4-(3,5-dimethylpiperazin-1-yl)-3-phenoxy-benzoyl]amino]benzoic acid CAS Name: 2-[[[4-(3,5-dimethyl-1-piperazinyl)-3-phenoxyphenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[4-(3,5-dimethylpiperazin-1-yl)-3-phenoxybenzoyl]amino]benzoic acid Traditional Name: 2-[[4-(3,5-dimethylpiperazino)-3-phenoxy-benzoyl]amino]benzoic acid Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)O)OC4=CC=CC=C4

Isomeric SMILES

CC1CN(CC(N1)C)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)O)OC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O4/c1-17-15-29(16-18(2)27-17)23-13-12-19(14-24(23)33-20-8-4-3-5-9-20)25(30)28-22-11-7-6-10-21(22)26(31)32/h3-14,17-18,27H,15-16H2,1-2H3,(H,28,30)(H,31,32)