1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(5-chloranylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(5-chloranylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(5-chloro-2-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(5-chloro-2-thiophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(5-chlorothiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(5-chloro-2-thienyl)methyl]proline Formula: C18H19BrClNO4S MolecularWeight: 460.76976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C2=CC=C(S2)Cl)N3CCCC3C(=O)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=CC=C(S2)Cl)N3CCCC3C(=O)O)Br)OC

InChI

InChI=1S/C18H19BrClNO4S/c1-24-13-8-10(11(19)9-14(13)25-2)17(15-5-6-16(20)26-15)21-7-3-4-12(21)18(22)23/h5-6,8-9,12,17H,3-4,7H2,1-2H3,(H,22,23)