1-[(5-methylthiophen-2-yl)-phenyl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-methylthiophen-2-yl)-phenyl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-methyl-2-thienyl)-phenyl-methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-methyl-2-thiophenyl)-phenylmethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-methylthiophen-2-yl)-phenylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-methyl-2-thienyl)-phenyl-methyl]isonipecotic acid Formula: C18H21NO2S MolecularWeight: 315.42984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(C2=CC=CC=C2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC=C(S1)C(C2=CC=CC=C2)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H21NO2S/c1-13-7-8-16(22-13)17(14-5-3-2-4-6-14)19-11-9-15(10-12-19)18(20)21/h2-8,15,17H,9-12H2,1H3,(H,20,21)