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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC(=C(C=C2)Cl)Cl)N3CCC(CC3)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC(=C(C=C2)Cl)Cl)N3CCC(CC3)C(=O)O)OC

InChI

InChI=1S/C22H25Cl2NO4/c1-3-29-20-13-16(5-7-19(20)28-2)21(15-4-6-17(23)18(24)12-15)25-10-8-14(9-11-25)22(26)27/h4-7,12-14,21H,3,8-11H2,1-2H3,(H,26,27)