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

Systemtic Name: 1-[(3,4-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3,4-dichlorophenyl)-(5-ethyl-2-thienyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)-(5-ethyl-2-thiophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3,4-dichlorophenyl)-(5-ethyl-2-thienyl)methyl]pipecolinic 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)N3CCCCC3C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C(C2=CC(=C(C=C2)Cl)Cl)N3CCCCC3C(=O)O

InChI

InChI=1S/C19H21Cl2NO2S/c1-2-13-7-9-17(25-13)18(12-6-8-14(20)15(21)11-12)22-10-4-3-5-16(22)19(23)24/h6-9,11,16,18H,2-5,10H2,1H3,(H,23,24)