1-[[2,3-bis(chloranyl)phenyl]-(5-chloranyl-2-ethoxy-phenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[2,3-bis(chloranyl)phenyl]-(5-chloranyl-2-ethoxy-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-chloro-2-ethoxy-phenyl)-(2,3-dichlorophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-chloro-2-ethoxyphenyl)-(2,3-dichlorophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-ethoxyphenyl)-(2,3-dichlorophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-chloro-2-ethoxy-phenyl)-(2,3-dichlorophenyl)methyl]isonipecotic 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(=CC=C2)Cl)Cl)N3CCC(CC3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H22Cl3NO3/c1-2-28-18-7-6-14(22)12-16(18)20(15-4-3-5-17(23)19(15)24)25-10-8-13(9-11-25)21(26)27/h3-7,12-13,20H,2,8-11H2,1H3,(H,26,27)