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

Systemtic Name: 1-[(2,4-dichlorophenyl)-(3-methylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,4-dichlorophenyl)-(m-tolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,4-dichlorophenyl)-(3-methylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dichlorophenyl)-(3-methylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,4-dichlorophenyl)-(m-tolyl)methyl]nipecotic acid Formula: C20H21Cl2NO2 MolecularWeight: 378.29224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=C(C=C(C=C2)Cl)Cl)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=C(C=C(C=C2)Cl)Cl)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C20H21Cl2NO2/c1-13-4-2-5-14(10-13)19(17-8-7-16(21)11-18(17)22)23-9-3-6-15(12-23)20(24)25/h2,4-5,7-8,10-11,15,19H,3,6,9,12H2,1H3,(H,24,25)