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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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