1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(5-bromanylthiophen-2-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(5-bromanylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(5-bromo-2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-2-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(5-bromothiophen-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(5-bromo-2-thienyl)methyl]nipecotic 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)N3CCCC(C3)C(=O)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=CC=C(S2)Br)N3CCCC(C3)C(=O)O)Br)OC

InChI

InChI=1S/C19H21Br2NO4S/c1-25-14-8-12(13(20)9-15(14)26-2)18(16-5-6-17(21)27-16)22-7-3-4-11(10-22)19(23)24/h5-6,8-9,11,18H,3-4,7,10H2,1-2H3,(H,23,24)