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

Systemtic Name: 4-[2-[1-(5-chloranyl-2-pyrrolidin-1-yl-phenyl)ethylamino]-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 4-[2-[1-(5-chloro-2-pyrrolidin-1-yl-phenyl)ethylamino]-2-oxo-ethyl]benzoic acid CAS Name: 4-[2-[1-[5-chloro-2-(1-pyrrolidinyl)phenyl]ethylamino]-2-oxoethyl]benzoic acid IUPAC Name: 4-[2-[1-(5-chloro-2-pyrrolidin-1-ylphenyl)ethylamino]-2-oxoethyl]benzoic acid Traditional Name: 4-[2-[1-(5-chloro-2-pyrrolidino-phenyl)ethylamino]-2-keto-ethyl]benzoic acid Formula: C21H23ClN2O3 MolecularWeight: 386.87192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)Cl)N2CCCC2)NC(=O)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C1=C(C=CC(=C1)Cl)N2CCCC2)NC(=O)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H23ClN2O3/c1-14(18-13-17(22)8-9-19(18)24-10-2-3-11-24)23-20(25)12-15-4-6-16(7-5-15)21(26)27/h4-9,13-14H,2-3,10-12H2,1H3,(H,23,25)(H,26,27)