1-[(5-ethylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-ethylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-ethyl-2-thienyl)-(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-ethyl-2-thiophenyl)-(3,4,5-trimethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-ethylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-ethyl-2-thienyl)-(3,4,5-trimethoxyphenyl)methyl]proline Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO5S/c1-5-14-8-9-18(28-14)19(22-10-6-7-15(22)21(23)24)13-11-16(25-2)20(27-4)17(12-13)26-3/h8-9,11-12,15,19H,5-7,10H2,1-4H3,(H,23,24)