1-[(2,4-dichlorophenyl)-(3-fluorophenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2,4-dichlorophenyl)-(3-fluorophenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,4-dichlorophenyl)-(3-fluorophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,4-dichlorophenyl)-(3-fluorophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dichlorophenyl)-(3-fluorophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,4-dichlorophenyl)-(3-fluorophenyl)methyl]nipecotic acid Formula: C19H18Cl2FNO2 MolecularWeight: 382.256123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18Cl2FNO2/c20-14-6-7-16(17(21)10-14)18(12-3-1-5-15(22)9-12)23-8-2-4-13(11-23)19(24)25/h1,3,5-7,9-10,13,18H,2,4,8,11H2,(H,24,25)