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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(2,3-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(2,3-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(2,3-dimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(2,3-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(2,3-dimethoxyphenyl)methyl]isonipecotic acid Formula: C19H22BrNO4S MolecularWeight: 440.35128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(C2=CC=C(S2)Br)N3CCC(CC3)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)C(C2=CC=C(S2)Br)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C19H22BrNO4S/c1-24-14-5-3-4-13(18(14)25-2)17(15-6-7-16(20)26-15)21-10-8-12(9-11-21)19(22)23/h3-7,12,17H,8-11H2,1-2H3,(H,22,23)