1-[(2-methylphenyl)-thiophen-3-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2-methylphenyl)-thiophen-3-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[o-tolyl(3-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-methylphenyl)-(3-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-methylphenyl)-thiophen-3-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[o-tolyl(3-thienyl)methyl]isonipecotic acid Formula: C18H21NO2S MolecularWeight: 315.42984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CSC=C2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=CSC=C2)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H21NO2S/c1-13-4-2-3-5-16(13)17(15-8-11-22-12-15)19-9-6-14(7-10-19)18(20)21/h2-5,8,11-12,14,17H,6-7,9-10H2,1H3,(H,20,21)