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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(5-chloranylthiophen-2-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(5-chloro-2-thienyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(5-chloro-2-thiophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(5-chlorothiophen-2-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(5-chloro-2-thienyl)methyl]pipecolinic acid Formula: C19H21BrClNO4S MolecularWeight: 474.79634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C2=CC=C(S2)Cl)N3CCCCC3C(=O)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=CC=C(S2)Cl)N3CCCCC3C(=O)O)Br)OC

InChI

InChI=1S/C19H21BrClNO4S/c1-25-14-9-11(12(20)10-15(14)26-2)18(16-6-7-17(21)27-16)22-8-4-3-5-13(22)19(23)24/h6-7,9-10,13,18H,3-5,8H2,1-2H3,(H,23,24)