1-(3-bromanyl-4-methoxy-phenyl)carbonylpiperidine-3-carboxylic acid

Systemtic Name: 1-(3-bromanyl-4-methoxy-phenyl)carbonylpiperidine-3-carboxylic acid Openeye Name: 1-(3-bromo-4-methoxy-benzoyl)piperidine-3-carboxylic acid CAS Name: 1-[(3-bromo-4-methoxyphenyl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(3-bromo-4-methoxybenzoyl)piperidine-3-carboxylic acid Traditional Name: 1-(3-bromo-4-methoxy-benzoyl)nipecotic acid Formula: C14H16BrNO4 MolecularWeight: 342.18514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCCC(C2)C(=O)O)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCCC(C2)C(=O)O)Br

InChI

InChI=1S/C14H16BrNO4/c1-20-12-5-4-9(7-11(12)15)13(17)16-6-2-3-10(8-16)14(18)19/h4-5,7,10H,2-3,6,8H2,1H3,(H,18,19)