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

Systemtic Name: 1-[(2,4-dichlorophenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,4-dichlorophenyl)-(2-furyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,4-dichlorophenyl)-(2-furanyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dichlorophenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,4-dichlorophenyl)-(2-furyl)methyl]nipecotic acid Formula: C17H17Cl2NO3 MolecularWeight: 354.22778

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=C(C=C(C=C2)Cl)Cl)C3=CC=CO3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=C(C=C(C=C2)Cl)Cl)C3=CC=CO3)C(=O)O

InChI

InChI=1S/C17H17Cl2NO3/c18-12-5-6-13(14(19)9-12)16(15-4-2-8-23-15)20-7-1-3-11(10-20)17(21)22/h2,4-6,8-9,11,16H,1,3,7,10H2,(H,21,22)