1-[(2,6-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(2,6-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2,6-dimethoxyphenyl)-(5-ethyl-2-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2,6-dimethoxyphenyl)-(5-ethyl-2-thiophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2,6-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2,6-dimethoxyphenyl)-(5-ethyl-2-thienyl)methyl]proline Formula: C20H25NO4S MolecularWeight: 375.4818

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(C2=C(C=CC=C2OC)OC)N3CCCC3C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C(C2=C(C=CC=C2OC)OC)N3CCCC3C(=O)O

InChI

InChI=1S/C20H25NO4S/c1-4-13-10-11-17(26-13)19(21-12-6-7-14(21)20(22)23)18-15(24-2)8-5-9-16(18)25-3/h5,8-11,14,19H,4,6-7,12H2,1-3H3,(H,22,23)