5-chloranyl-2-[[4-[4-(2-piperazin-1-ylethoxy)phenoxy]phenyl]carbonylamino]benzoic acid

Systemtic Name: 5-chloranyl-2-[[4-[4-(2-piperazin-1-ylethoxy)phenoxy]phenyl]carbonylamino]benzoic acid Openeye Name: 5-chloro-2-[[4-[4-(2-piperazin-1-ylethoxy)phenoxy]benzoyl]amino]benzoic acid CAS Name: 5-chloro-2-[[oxo-[4-[4-[2-(1-piperazinyl)ethoxy]phenoxy]phenyl]methyl]amino]benzoic acid IUPAC Name: 5-chloro-2-[[4-[4-(2-piperazin-1-ylethoxy)phenoxy]benzoyl]amino]benzoic acid Traditional Name: 5-chloro-2-[[4-[4-(2-piperazinoethoxy)phenoxy]benzoyl]amino]benzoic acid Formula: C26H26ClN3O5 MolecularWeight: 495.95474

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCOC2=CC=C(C=C2)OC3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1CN(CCN1)CCOC2=CC=C(C=C2)OC3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C26H26ClN3O5/c27-19-3-10-24(23(17-19)26(32)33)29-25(31)18-1-4-21(5-2-18)35-22-8-6-20(7-9-22)34-16-15-30-13-11-28-12-14-30/h1-10,17,28H,11-16H2,(H,29,31)(H,32,33)