1-[(3,4-dimethoxyphenyl)-thiophen-2-yl-methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-thiophen-2-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)-(2-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)-thiophen-2-ylmethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)-thiophen-2-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3,4-dimethoxyphenyl)-(2-thienyl)methyl]proline Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC=CS2)N3CCCC3C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC=CS2)N3CCCC3C(=O)O)OC

InChI

InChI=1S/C18H21NO4S/c1-22-14-8-7-12(11-15(14)23-2)17(16-6-4-10-24-16)19-9-3-5-13(19)18(20)21/h4,6-8,10-11,13,17H,3,5,9H2,1-2H3,(H,20,21)