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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CSC=C2)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CSC=C2)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C18H21NO2S/c1-13-4-6-14(7-5-13)17(16-8-10-22-12-16)19-9-2-3-15(11-19)18(20)21/h4-8,10,12,15,17H,2-3,9,11H2,1H3,(H,20,21)