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

Systemtic Name: 1-[(3,5-dimethylphenyl)-thiophen-2-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3,5-dimethylphenyl)-(2-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-thiophen-2-ylmethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-thiophen-2-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3,5-dimethylphenyl)-(2-thienyl)methyl]proline Formula: C18H21NO2S MolecularWeight: 315.42984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2=CC=CS2)N3CCCC3C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC=CS2)N3CCCC3C(=O)O)C

InChI

InChI=1S/C18H21NO2S/c1-12-9-13(2)11-14(10-12)17(16-6-4-8-22-16)19-7-3-5-15(19)18(20)21/h4,6,8-11,15,17H,3,5,7H2,1-2H3,(H,20,21)