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

Systemtic Name: 1-[(3,4-dichlorophenyl)-(4-ethylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,4-dichlorophenyl)-(4-ethylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)-(4-ethylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)-(4-ethylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,4-dichlorophenyl)-(4-ethylphenyl)methyl]nipecotic acid Formula: C21H23Cl2NO2 MolecularWeight: 392.31882

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC(=C(C=C2)Cl)Cl)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CC(=C(C=C2)Cl)Cl)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C21H23Cl2NO2/c1-2-14-5-7-15(8-6-14)20(16-9-10-18(22)19(23)12-16)24-11-3-4-17(13-24)21(25)26/h5-10,12,17,20H,2-4,11,13H2,1H3,(H,25,26)