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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(C2=CSC=C2)N3CCCC3C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)C(C2=CSC=C2)N3CCCC3C(=O)O

InChI

InChI=1S/C18H21NO4S/c1-22-15-7-3-5-13(17(15)23-2)16(12-8-10-24-11-12)19-9-4-6-14(19)18(20)21/h3,5,7-8,10-11,14,16H,4,6,9H2,1-2H3,(H,20,21)