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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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