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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-thiophen-2-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(2-thienyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-thiophen-2-ylmethyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-thiophen-2-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(2-thienyl)methyl]pipecolinic 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)N3CCCCC3C(=O)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=CC=CS2)N3CCCCC3C(=O)O)Br)OC

InChI

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