4-[2-[[2-(azocan-1-yl)-5-chloranyl-phenyl]carbonylamino]ethyl]benzoic acid

Systemtic Name: 4-[2-[[2-(azocan-1-yl)-5-chloranyl-phenyl]carbonylamino]ethyl]benzoic acid Openeye Name: 4-[2-[[2-(azocan-1-yl)-5-chloro-benzoyl]amino]ethyl]benzoic acid CAS Name: 4-[2-[[[2-(1-azocanyl)-5-chlorophenyl]-oxomethyl]amino]ethyl]benzoic acid IUPAC Name: 4-[2-[[2-(azocan-1-yl)-5-chlorobenzoyl]amino]ethyl]benzoic acid Traditional Name: 4-[2-[[2-(azocan-1-yl)-5-chloro-benzoyl]amino]ethyl]benzoic acid Formula: C23H27ClN2O3 MolecularWeight: 414.92508

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C2=C(C=C(C=C2)Cl)C(=O)NCCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CCCN(CCC1)C2=C(C=C(C=C2)Cl)C(=O)NCCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H27ClN2O3/c24-19-10-11-21(26-14-4-2-1-3-5-15-26)20(16-19)22(27)25-13-12-17-6-8-18(9-7-17)23(28)29/h6-11,16H,1-5,12-15H2,(H,25,27)(H,28,29)