1-[(3,5-dimethylphenyl)-(5-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3,5-dimethylphenyl)-(5-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3,5-dimethylphenyl)-(5-methyl-2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(5-methyl-2-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-(5-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3,5-dimethylphenyl)-(5-methyl-2-thienyl)methyl]isonipecotic acid Formula: C20H25NO2S MolecularWeight: 343.483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(C2=CC(=CC(=C2)C)C)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC=C(S1)C(C2=CC(=CC(=C2)C)C)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C20H25NO2S/c1-13-10-14(2)12-17(11-13)19(18-5-4-15(3)24-18)21-8-6-16(7-9-21)20(22)23/h4-5,10-12,16,19H,6-9H2,1-3H3,(H,22,23)