1-[(5-chloranylthiophen-2-yl)-(2,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-chloranylthiophen-2-yl)-(2,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-chloro-2-thienyl)-(2,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-chloro-2-thiophenyl)-(2,4-dichlorophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-chlorothiophen-2-yl)-(2,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-chloro-2-thienyl)-(2,4-dichlorophenyl)methyl]nipecotic acid Formula: C17H16Cl3NO2S MolecularWeight: 404.73844

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=C(C=C(C=C2)Cl)Cl)C3=CC=C(S3)Cl)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=C(C=C(C=C2)Cl)Cl)C3=CC=C(S3)Cl)C(=O)O

InChI

InChI=1S/C17H16Cl3NO2S/c18-11-3-4-12(13(19)8-11)16(14-5-6-15(20)24-14)21-7-1-2-10(9-21)17(22)23/h3-6,8,10,16H,1-2,7,9H2,(H,22,23)