1-[2-[bis(2-chloranyl-4-fluoranyl-phenyl)methylideneamino]oxyethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-[bis(2-chloranyl-4-fluoranyl-phenyl)methylideneamino]oxyethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-[bis(2-chloro-4-fluoro-phenyl)methyleneamino]oxyethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[bis(2-chloro-4-fluorophenyl)methylideneamino]oxyethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-[bis(2-chloro-4-fluorophenyl)methylideneamino]oxyethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[bis(2-chloro-4-fluoro-phenyl)methyleneamino]oxyethyl]nipecotic acid Formula: C21H20Cl2F2N2O3 MolecularWeight: 457.297906

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCON=C(C2=C(C=C(C=C2)F)Cl)C3=C(C=C(C=C3)F)Cl)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CCON=C(C2=C(C=C(C=C2)F)Cl)C3=C(C=C(C=C3)F)Cl)C(=O)O

InChI

InChI=1S/C21H20Cl2F2N2O3/c22-18-10-14(24)3-5-16(18)20(17-6-4-15(25)11-19(17)23)26-30-9-8-27-7-1-2-13(12-27)21(28)29/h3-6,10-11,13H,1-2,7-9,12H2,(H,28,29)