1-[(5-chloranyl-2-ethoxy-phenyl)-(2,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(5-chloranyl-2-ethoxy-phenyl)-(2,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-chloro-2-ethoxy-phenyl)-(2,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-chloro-2-ethoxyphenyl)-(2,4-dichlorophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-ethoxyphenyl)-(2,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-chloro-2-ethoxy-phenyl)-(2,4-dichlorophenyl)methyl]pipecolinic acid Formula: C21H22Cl3NO3 MolecularWeight: 442.76328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22Cl3NO3/c1-2-28-19-9-7-13(22)11-16(19)20(15-8-6-14(23)12-17(15)24)25-10-4-3-5-18(25)21(26)27/h6-9,11-12,18,20H,2-5,10H2,1H3,(H,26,27)