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

Systemtic Name: 4-[2-[(5-chloranyl-2-piperidin-1-yl-phenyl)methylamino]-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 4-[2-[[5-chloro-2-(1-piperidyl)phenyl]methylamino]-2-oxo-ethyl]benzoic acid CAS Name: 4-[2-[[5-chloro-2-(1-piperidinyl)phenyl]methylamino]-2-oxoethyl]benzoic acid IUPAC Name: 4-[2-[(5-chloro-2-piperidin-1-ylphenyl)methylamino]-2-oxoethyl]benzoic acid Traditional Name: 4-[2-[(5-chloro-2-piperidino-benzyl)amino]-2-keto-ethyl]benzoic acid Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)Cl)CNC(=O)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)Cl)CNC(=O)CC3=CC=C(C=C3)C(=O)O

InChI

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