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

Systemtic Name: 1-[(3,4-dichlorophenyl)-naphthalen-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,4-dichlorophenyl)-(2-naphthyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)-(2-naphthalenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)-naphthalen-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,4-dichlorophenyl)-(2-naphthyl)methyl]nipecotic acid Formula: C23H21Cl2NO2 MolecularWeight: 414.32434

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC3=CC=CC=C3C=C2)C4=CC(=C(C=C4)Cl)Cl)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC3=CC=CC=C3C=C2)C4=CC(=C(C=C4)Cl)Cl)C(=O)O

InChI

InChI=1S/C23H21Cl2NO2/c24-20-10-9-18(13-21(20)25)22(26-11-3-6-19(14-26)23(27)28)17-8-7-15-4-1-2-5-16(15)12-17/h1-2,4-5,7-10,12-13,19,22H,3,6,11,14H2,(H,27,28)