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

Systemtic Name: 1-[(3,4-dichlorophenyl)-(2-ethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,4-dichlorophenyl)-(2-ethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)-(2-ethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)-(2-ethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,4-dichlorophenyl)-o-phenetyl-methyl]nipecotic acid Formula: C21H23Cl2NO3 MolecularWeight: 408.31822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(C2=CC(=C(C=C2)Cl)Cl)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1C(C2=CC(=C(C=C2)Cl)Cl)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C21H23Cl2NO3/c1-2-27-19-8-4-3-7-16(19)20(14-9-10-17(22)18(23)12-14)24-11-5-6-15(13-24)21(25)26/h3-4,7-10,12,15,20H,2,5-6,11,13H2,1H3,(H,25,26)