1-[(3-methylphenyl)-thiophen-3-yl-methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(3-methylphenyl)-thiophen-3-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[m-tolyl(3-thienyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3-methylphenyl)-(3-thiophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylphenyl)-thiophen-3-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[m-tolyl(3-thienyl)methyl]pipecolinic acid Formula: C18H21NO2S MolecularWeight: 315.42984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=CSC=C2)N3CCCCC3C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=CSC=C2)N3CCCCC3C(=O)O

InChI

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