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

Systemtic Name: 1-[(2,5-dimethylphenyl)-thiophen-3-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(2,5-dimethylphenyl)-(3-thienyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(2,5-dimethylphenyl)-(3-thiophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2,5-dimethylphenyl)-thiophen-3-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(2,5-dimethylphenyl)-(3-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=CSC=C2)N3CCCCC3C(=O)O

Isomeric SMILES

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

InChI

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