1-[(5-chloranylthiophen-2-yl)-(4-methylphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-chloranylthiophen-2-yl)-(4-methylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-chloro-2-thienyl)-(p-tolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-chloro-2-thiophenyl)-(4-methylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-chlorothiophen-2-yl)-(4-methylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-chloro-2-thienyl)-(p-tolyl)methyl]isonipecotic acid Formula: C18H20ClNO2S MolecularWeight: 349.8749

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=C(S2)Cl)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=C(S2)Cl)N3CCC(CC3)C(=O)O

InChI

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