1-[(4-chlorophenyl)-(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-chlorophenyl)-(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-chlorophenyl)-(5-ethyl-2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-chlorophenyl)-(5-ethyl-2-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-chlorophenyl)-(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-chlorophenyl)-(5-ethyl-2-thienyl)methyl]isonipecotic acid Formula: C19H22ClNO2S MolecularWeight: 363.90148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClNO2S/c1-2-16-7-8-17(24-16)18(13-3-5-15(20)6-4-13)21-11-9-14(10-12-21)19(22)23/h3-8,14,18H,2,9-12H2,1H3,(H,22,23)