1-[(3-methylphenyl)-thiophen-2-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-methylphenyl)-thiophen-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[m-tolyl(2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-methylphenyl)-thiophen-2-ylmethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[m-tolyl(2-thienyl)methyl]isonipecotic acid Formula: C18H21NO2S MolecularWeight: 315.42984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=CC=CS2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=CC=CS2)N3CCC(CC3)C(=O)O

InChI

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