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

Systemtic Name: 4-[2-[1-(5-chloranyl-2-piperidin-1-yl-phenyl)propylamino]-2-oxidanylidene-ethyl]-2-ethoxy-benzoic acid Openeye Name: 4-[2-[1-[5-chloro-2-(1-piperidyl)phenyl]propylamino]-2-oxo-ethyl]-2-ethoxy-benzoic acid CAS Name: 4-[2-[1-[5-chloro-2-(1-piperidinyl)phenyl]propylamino]-2-oxoethyl]-2-ethoxybenzoic acid IUPAC Name: 4-[2-[1-(5-chloro-2-piperidin-1-ylphenyl)propylamino]-2-oxoethyl]-2-ethoxybenzoic acid Traditional Name: 4-[2-[1-(5-chloro-2-piperidino-phenyl)propylamino]-2-keto-ethyl]-2-ethoxy-benzoic acid Formula: C25H31ClN2O4 MolecularWeight: 458.97764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31ClN2O4/c1-3-21(20-16-18(26)9-11-22(20)28-12-6-5-7-13-28)27-24(29)15-17-8-10-19(25(30)31)23(14-17)32-4-2/h8-11,14,16,21H,3-7,12-13,15H2,1-2H3,(H,27,29)(H,30,31)