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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25Cl2NO4/c1-3-29-19-10-7-14(12-20(19)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)