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

Systemtic Name: 1-[(2,4-dichlorophenyl)-phenyl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,4-dichlorophenyl)-phenyl-methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,4-dichlorophenyl)-phenylmethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dichlorophenyl)-phenylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,4-dichlorophenyl)-phenyl-methyl]nipecotic acid Formula: C19H19Cl2NO2 MolecularWeight: 364.26566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19Cl2NO2/c20-15-8-9-16(17(21)11-15)18(13-5-2-1-3-6-13)22-10-4-7-14(12-22)19(23)24/h1-3,5-6,8-9,11,14,18H,4,7,10,12H2,(H,23,24)