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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(C2=C(C=C(C=C2)Cl)Cl)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1C(C2=C(C=C(C=C2)Cl)Cl)N3CCC(CC3)C(=O)O

InChI

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