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

Systemtic Name: 1-[(2,4-dimethylphenyl)-(4-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,4-dimethylphenyl)-(4-methyl-2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,4-dimethylphenyl)-(4-methyl-2-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dimethylphenyl)-(4-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,4-dimethylphenyl)-(4-methyl-2-thienyl)methyl]nipecotic acid Formula: C20H25NO2S MolecularWeight: 343.483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO2S/c1-13-6-7-17(15(3)9-13)19(18-10-14(2)12-24-18)21-8-4-5-16(11-21)20(22)23/h6-7,9-10,12,16,19H,4-5,8,11H2,1-3H3,(H,22,23)