1-[(5-bromanylthiophen-2-yl)-(4-ethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(4-ethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(4-ethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(4-ethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(4-ethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-p-phenetyl-methyl]proline Formula: C18H20BrNO3S MolecularWeight: 410.3253

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C2=CC=C(S2)Br)N3CCCC3C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C2=CC=C(S2)Br)N3CCCC3C(=O)O

InChI

InChI=1S/C18H20BrNO3S/c1-2-23-13-7-5-12(6-8-13)17(15-9-10-16(19)24-15)20-11-3-4-14(20)18(21)22/h5-10,14,17H,2-4,11H2,1H3,(H,21,22)