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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C2=CC(=C(C=C2)Cl)Cl)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C2=CC(=C(C=C2)Cl)Cl)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C21H23Cl2NO3/c1-2-27-17-8-5-14(6-9-17)20(15-7-10-18(22)19(23)12-15)24-11-3-4-16(13-24)21(25)26/h5-10,12,16,20H,2-4,11,13H2,1H3,(H,25,26)