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

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

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrNO4S/c1-24-14-6-5-12(10-15(14)25-2)18(16-7-8-17(20)26-16)21-9-3-4-13(11-21)19(22)23/h5-8,10,13,18H,3-4,9,11H2,1-2H3,(H,22,23)