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

Systemtic Name: 4-[2-[[2-(1-azacycloundec-1-yl)-5-chloranyl-phenyl]carbonylamino]ethyl]benzoic acid Openeye Name: 4-[2-[[2-(azacycloundec-1-yl)-5-chloro-benzoyl]amino]ethyl]benzoic acid CAS Name: 4-[2-[[[2-(azacycloundec-1-yl)-5-chlorophenyl]-oxomethyl]amino]ethyl]benzoic acid IUPAC Name: 4-[2-[[2-(azacycloundec-1-yl)-5-chlorobenzoyl]amino]ethyl]benzoic acid Traditional Name: 4-[2-[[2-(azacycloundec-1-yl)-5-chloro-benzoyl]amino]ethyl]benzoic acid Formula: C26H33ClN2O3 MolecularWeight: 457.00482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCN(CCCC1)C2=C(C=C(C=C2)Cl)C(=O)NCCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CCCCCN(CCCC1)C2=C(C=C(C=C2)Cl)C(=O)NCCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C26H33ClN2O3/c27-22-13-14-24(29-17-7-5-3-1-2-4-6-8-18-29)23(19-22)25(30)28-16-15-20-9-11-21(12-10-20)26(31)32/h9-14,19H,1-8,15-18H2,(H,28,30)(H,31,32)