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

Systemtic Name: 1-[(5-chloranylthiophen-2-yl)-(2,5-dimethylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-chloro-2-thienyl)-(2,5-dimethylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-chloro-2-thiophenyl)-(2,5-dimethylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-chloro-2-thienyl)-(2,5-dimethylphenyl)methyl]isonipecotic acid Formula: C19H22ClNO2S MolecularWeight: 363.90148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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