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

Systemtic Name: 1-[(2,4-dimethylphenyl)-(4-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(2,4-dimethylphenyl)-(4-methyl-2-thienyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(2,4-dimethylphenyl)-(4-methyl-2-thiophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dimethylphenyl)-(4-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(2,4-dimethylphenyl)-(4-methyl-2-thienyl)methyl]pipecolinic 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)N3CCCCC3C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C2=CC(=CS2)C)N3CCCCC3C(=O)O)C

InChI

InChI=1S/C20H25NO2S/c1-13-7-8-16(15(3)10-13)19(18-11-14(2)12-24-18)21-9-5-4-6-17(21)20(22)23/h7-8,10-12,17,19H,4-6,9H2,1-3H3,(H,22,23)