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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C2=CSC=C2)N3CCC(CC3)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C2=CSC=C2)N3CCC(CC3)C(=O)O)C

InChI

InChI=1S/C19H23NO2S/c1-13-3-4-17(14(2)11-13)18(16-7-10-23-12-16)20-8-5-15(6-9-20)19(21)22/h3-4,7,10-12,15,18H,5-6,8-9H2,1-2H3,(H,21,22)