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

Systemtic Name: 1-[(2,5-dimethylphenyl)-thiophen-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,5-dimethylphenyl)-(2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,5-dimethylphenyl)-thiophen-2-ylmethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,5-dimethylphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,5-dimethylphenyl)-(2-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)C(C2=CC=CS2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(C2=CC=CS2)N3CCC(CC3)C(=O)O

InChI

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