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

Systemtic Name: 1-[(3-ethoxyphenyl)-thiophen-2-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-ethoxyphenyl)-(2-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-ethoxyphenyl)-thiophen-2-ylmethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-ethoxyphenyl)-thiophen-2-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[m-phenetyl(2-thienyl)methyl]proline Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C2=CC=CS2)N3CCCC3C(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1)C(C2=CC=CS2)N3CCCC3C(=O)O

InChI

InChI=1S/C18H21NO3S/c1-2-22-14-7-3-6-13(12-14)17(16-9-5-11-23-16)19-10-4-8-15(19)18(20)21/h3,5-7,9,11-12,15,17H,2,4,8,10H2,1H3,(H,20,21)