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

Systemtic Name: 1-[(2,4-dimethylphenyl)-thiophen-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,4-dimethylphenyl)-(2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,4-dimethylphenyl)-thiophen-2-ylmethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dimethylphenyl)-thiophen-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,4-dimethylphenyl)-(2-thienyl)methyl]nipecotic acid Formula: C19H23NO2S MolecularWeight: 329.45642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C2=CC=CS2)N3CCCC(C3)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C2=CC=CS2)N3CCCC(C3)C(=O)O)C

InChI

InChI=1S/C19H23NO2S/c1-13-7-8-16(14(2)11-13)18(17-6-4-10-23-17)20-9-3-5-15(12-20)19(21)22/h4,6-8,10-11,15,18H,3,5,9,12H2,1-2H3,(H,21,22)