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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-thiophen-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-thiophen-2-ylmethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-thiophen-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(2-thienyl)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=CS2)N3CCCC(C3)C(=O)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=CC=CS2)N3CCCC(C3)C(=O)O)Br)OC

InChI

InChI=1S/C19H22BrNO4S/c1-24-15-9-13(14(20)10-16(15)25-2)18(17-6-4-8-26-17)21-7-3-5-12(11-21)19(22)23/h4,6,8-10,12,18H,3,5,7,11H2,1-2H3,(H,22,23)