1-[(3-methylthiophen-2-yl)-phenyl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-methylthiophen-2-yl)-phenyl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-methyl-2-thienyl)-phenyl-methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-methyl-2-thiophenyl)-phenylmethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylthiophen-2-yl)-phenylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-methyl-2-thienyl)-phenyl-methyl]isonipecotic acid Formula: C18H21NO2S MolecularWeight: 315.42984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(C2=CC=CC=C2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=C(SC=C1)C(C2=CC=CC=C2)N3CCC(CC3)C(=O)O

InChI

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