1-[(5-bromanyl-2-ethoxy-phenyl)-thiophen-3-yl-methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-thiophen-3-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(3-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(3-thiophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-thiophen-3-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(3-thienyl)methyl]proline Formula: C18H20BrNO3S MolecularWeight: 410.3253

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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