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

Systemtic Name: 1-[(3,4-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3,4-dichlorophenyl)-(5-ethyl-2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)-(5-ethyl-2-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3,4-dichlorophenyl)-(5-ethyl-2-thienyl)methyl]isonipecotic acid Formula: C19H21Cl2NO2S MolecularWeight: 398.34654

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(C2=CC(=C(C=C2)Cl)Cl)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C(C2=CC(=C(C=C2)Cl)Cl)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C19H21Cl2NO2S/c1-2-14-4-6-17(25-14)18(13-3-5-15(20)16(21)11-13)22-9-7-12(8-10-22)19(23)24/h3-6,11-12,18H,2,7-10H2,1H3,(H,23,24)