1-[(5-bromanylthiophen-2-yl)-(5-chloranyl-2-ethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(5-chloranyl-2-ethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(5-chloro-2-ethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(5-chloro-2-ethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(5-chloro-2-ethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(5-chloro-2-ethoxy-phenyl)methyl]proline Formula: C18H19BrClNO3S MolecularWeight: 444.77036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrClNO3S/c1-2-24-14-6-5-11(20)10-12(14)17(15-7-8-16(19)25-15)21-9-3-4-13(21)18(22)23/h5-8,10,13,17H,2-4,9H2,1H3,(H,22,23)