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

Systemtic Name: 1-[(3-methylthiophen-2-yl)-naphthalen-1-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-methyl-2-thienyl)-(1-naphthyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-methyl-2-thiophenyl)-(1-naphthalenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylthiophen-2-yl)-naphthalen-1-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-methyl-2-thienyl)-(1-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=CC=CC3=CC=CC=C32)N4CCCC(C4)C(=O)O

Isomeric SMILES

CC1=C(SC=C1)C(C2=CC=CC3=CC=CC=C32)N4CCCC(C4)C(=O)O

InChI

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