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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(5-bromanylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(5-bromo-2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-2-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(5-bromothiophen-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(5-bromo-2-thienyl)methyl]isonipecotic acid Formula: C19H21Br2NO4S MolecularWeight: 519.24734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C2=CC=C(S2)Br)N3CCC(CC3)C(=O)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=CC=C(S2)Br)N3CCC(CC3)C(=O)O)Br)OC

InChI

InChI=1S/C19H21Br2NO4S/c1-25-14-9-12(13(20)10-15(14)26-2)18(16-3-4-17(21)27-16)22-7-5-11(6-8-22)19(23)24/h3-4,9-11,18H,5-8H2,1-2H3,(H,23,24)