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

Systemtic Name: 1-[1-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[1-(2-bromo-4,5-dimethoxy-phenyl)ethyl]piperidine-3-carboxylic acid CAS Name: 1-[1-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(2-bromo-4,5-dimethoxyphenyl)ethyl]piperidine-3-carboxylic acid Traditional Name: 1-[1-(2-bromo-4,5-dimethoxy-phenyl)ethyl]nipecotic acid Formula: C16H22BrNO4 MolecularWeight: 372.25418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1Br)OC)OC)N2CCCC(C2)C(=O)O

Isomeric SMILES

CC(C1=CC(=C(C=C1Br)OC)OC)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C16H22BrNO4/c1-10(18-6-4-5-11(9-18)16(19)20)12-7-14(21-2)15(22-3)8-13(12)17/h7-8,10-11H,4-6,9H2,1-3H3,(H,19,20)