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

Systemtic Name: 1-[(3,4-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,4-dichlorophenyl)-(5-ethyl-2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)-(5-ethyl-2-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,4-dichlorophenyl)-(5-ethyl-2-thienyl)methyl]nipecotic 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)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C(C2=CC(=C(C=C2)Cl)Cl)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C19H21Cl2NO2S/c1-2-14-6-8-17(25-14)18(12-5-7-15(20)16(21)10-12)22-9-3-4-13(11-22)19(23)24/h5-8,10,13,18H,2-4,9,11H2,1H3,(H,23,24)