1-[(2,4-dichlorophenyl)-(3-ethoxy-4-methoxy-phenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2,4-dichlorophenyl)-(3-ethoxy-4-methoxy-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,4-dichlorophenyl)-(3-ethoxy-4-methoxy-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,4-dichlorophenyl)-(3-ethoxy-4-methoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dichlorophenyl)-(3-ethoxy-4-methoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,4-dichlorophenyl)-(3-ethoxy-4-methoxy-phenyl)methyl]nipecotic acid Formula: C22H25Cl2NO4 MolecularWeight: 438.3442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25Cl2NO4/c1-3-29-20-11-14(6-9-19(20)28-2)21(17-8-7-16(23)12-18(17)24)25-10-4-5-15(13-25)22(26)27/h6-9,11-12,15,21H,3-5,10,13H2,1-2H3,(H,26,27)