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

Systemtic Name: 4-[2-[[2-(azecan-1-yl)-5-chloranyl-phenyl]carbonylamino]ethyl]benzoic acid Openeye Name: 4-[2-[[2-(azecan-1-yl)-5-chloro-benzoyl]amino]ethyl]benzoic acid CAS Name: 4-[2-[[[2-(1-azecanyl)-5-chlorophenyl]-oxomethyl]amino]ethyl]benzoic acid IUPAC Name: 4-[2-[[2-(azecan-1-yl)-5-chlorobenzoyl]amino]ethyl]benzoic acid Traditional Name: 4-[2-[[2-(azecan-1-yl)-5-chloro-benzoyl]amino]ethyl]benzoic acid Formula: C25H31ClN2O3 MolecularWeight: 442.97824

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCN(CCCC1)C2=C(C=C(C=C2)Cl)C(=O)NCCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CCCCN(CCCC1)C2=C(C=C(C=C2)Cl)C(=O)NCCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C25H31ClN2O3/c26-21-12-13-23(28-16-6-4-2-1-3-5-7-17-28)22(18-21)24(29)27-15-14-19-8-10-20(11-9-19)25(30)31/h8-13,18H,1-7,14-17H2,(H,27,29)(H,30,31)