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

Systemtic Name: 1-[(2,4-dichlorophenyl)-(3-ethoxy-4-methoxy-phenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(2,4-dichlorophenyl)-(3-ethoxy-4-methoxy-phenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(2,4-dichlorophenyl)-(3-ethoxy-4-methoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dichlorophenyl)-(3-ethoxy-4-methoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(2,4-dichlorophenyl)-(3-ethoxy-4-methoxy-phenyl)methyl]pipecolinic 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)N3CCCCC3C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=C(C=C(C=C2)Cl)Cl)N3CCCCC3C(=O)O)OC

InChI

InChI=1S/C22H25Cl2NO4/c1-3-29-20-12-14(7-10-19(20)28-2)21(16-9-8-15(23)13-17(16)24)25-11-5-4-6-18(25)22(26)27/h7-10,12-13,18,21H,3-6,11H2,1-2H3,(H,26,27)