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

Systemtic Name: 4-[2-[1-(5-chloranyl-2-piperidin-1-yl-phenyl)ethylamino]-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 4-[2-[1-[5-chloro-2-(1-piperidyl)phenyl]ethylamino]-2-oxo-ethyl]benzoic acid CAS Name: 4-[2-[1-[5-chloro-2-(1-piperidinyl)phenyl]ethylamino]-2-oxoethyl]benzoic acid IUPAC Name: 4-[2-[1-(5-chloro-2-piperidin-1-ylphenyl)ethylamino]-2-oxoethyl]benzoic acid Traditional Name: 4-[2-[1-(5-chloro-2-piperidino-phenyl)ethylamino]-2-keto-ethyl]benzoic acid Formula: C22H25ClN2O3 MolecularWeight: 400.8985

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)Cl)N2CCCCC2)NC(=O)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C1=C(C=CC(=C1)Cl)N2CCCCC2)NC(=O)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H25ClN2O3/c1-15(24-21(26)13-16-5-7-17(8-6-16)22(27)28)19-14-18(23)9-10-20(19)25-11-3-2-4-12-25/h5-10,14-15H,2-4,11-13H2,1H3,(H,24,26)(H,27,28)