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

Systemtic Name: 1-[(4-chlorophenyl)-(4-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-chlorophenyl)-(4-methyl-2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-chlorophenyl)-(4-methyl-2-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-chlorophenyl)-(4-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-chlorophenyl)-(4-methyl-2-thienyl)methyl]isonipecotic acid Formula: C18H20ClNO2S MolecularWeight: 349.8749

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C(C2=CC=C(C=C2)Cl)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CSC(=C1)C(C2=CC=C(C=C2)Cl)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H20ClNO2S/c1-12-10-16(23-11-12)17(13-2-4-15(19)5-3-13)20-8-6-14(7-9-20)18(21)22/h2-5,10-11,14,17H,6-9H2,1H3,(H,21,22)