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

Systemtic Name: 4-[2-[[2-(azepan-1-yl)-5-chloranyl-phenyl]carbonylamino]ethyl]benzoic acid Openeye Name: 4-[2-[[2-(azepan-1-yl)-5-chloro-benzoyl]amino]ethyl]benzoic acid CAS Name: 4-[2-[[[2-(1-azepanyl)-5-chlorophenyl]-oxomethyl]amino]ethyl]benzoic acid IUPAC Name: 4-[2-[[2-(azepan-1-yl)-5-chlorobenzoyl]amino]ethyl]benzoic acid Traditional Name: 4-[2-[[2-(azepan-1-yl)-5-chloro-benzoyl]amino]ethyl]benzoic acid Formula: C22H25ClN2O3 MolecularWeight: 400.8985

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)Cl)C(=O)NCCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)Cl)C(=O)NCCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H25ClN2O3/c23-18-9-10-20(25-13-3-1-2-4-14-25)19(15-18)21(26)24-12-11-16-5-7-17(8-6-16)22(27)28/h5-10,15H,1-4,11-14H2,(H,24,26)(H,27,28)