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

Systemtic Name: 1-[(3,5-dimethylphenyl)-thiophen-3-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3,5-dimethylphenyl)-(3-thienyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(3-thiophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-thiophen-3-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3,5-dimethylphenyl)-(3-thienyl)methyl]pipecolinic acid Formula: C19H23NO2S MolecularWeight: 329.45642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO2S/c1-13-9-14(2)11-16(10-13)18(15-6-8-23-12-15)20-7-4-3-5-17(20)19(21)22/h6,8-12,17-18H,3-5,7H2,1-2H3,(H,21,22)