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

Systemtic Name: 1-[(3-methylthiophen-2-yl)-naphthalen-1-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-methyl-2-thienyl)-(1-naphthyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-methyl-2-thiophenyl)-(1-naphthalenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylthiophen-2-yl)-naphthalen-1-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-methyl-2-thienyl)-(1-naphthyl)methyl]isonipecotic acid Formula: C22H23NO2S MolecularWeight: 365.48852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(C2=CC=CC3=CC=CC=C32)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=C(SC=C1)C(C2=CC=CC3=CC=CC=C32)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C22H23NO2S/c1-15-11-14-26-21(15)20(23-12-9-17(10-13-23)22(24)25)19-8-4-6-16-5-2-3-7-18(16)19/h2-8,11,14,17,20H,9-10,12-13H2,1H3,(H,24,25)