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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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