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

Systemtic Name: 4-[2-[(5-chloranyl-2-piperidin-1-yl-phenyl)carbonylamino]ethyl]benzoic acid Openeye Name: 4-[2-[[5-chloro-2-(1-piperidyl)benzoyl]amino]ethyl]benzoic acid CAS Name: 4-[2-[[[5-chloro-2-(1-piperidinyl)phenyl]-oxomethyl]amino]ethyl]benzoic acid IUPAC Name: 4-[2-[(5-chloro-2-piperidin-1-ylbenzoyl)amino]ethyl]benzoic acid Traditional Name: 4-[2-[(5-chloro-2-piperidino-benzoyl)amino]ethyl]benzoic acid Formula: C21H23ClN2O3 MolecularWeight: 386.87192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)Cl)C(=O)NCCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)Cl)C(=O)NCCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H23ClN2O3/c22-17-8-9-19(24-12-2-1-3-13-24)18(14-17)20(25)23-11-10-15-4-6-16(7-5-15)21(26)27/h4-9,14H,1-3,10-13H2,(H,23,25)(H,26,27)