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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(C2=CC3=CC=CC=C3C=C2)N4CCCC(C4)C(=O)O

Isomeric SMILES

CC1=C(SC=C1)C(C2=CC3=CC=CC=C3C=C2)N4CCCC(C4)C(=O)O

InChI

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