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

Systemtic Name: 1-[(2,5-dimethylphenyl)-thiophen-2-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(2,5-dimethylphenyl)-(2-thienyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(2,5-dimethylphenyl)-thiophen-2-ylmethyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2,5-dimethylphenyl)-thiophen-2-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(2,5-dimethylphenyl)-(2-thienyl)methyl]pipecolinic 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)N3CCCCC3C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO2S/c1-13-8-9-14(2)15(12-13)18(17-7-5-11-23-17)20-10-4-3-6-16(20)19(21)22/h5,7-9,11-12,16,18H,3-4,6,10H2,1-2H3,(H,21,22)