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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C(=O)O)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C(=O)O)Br

InChI

InChI=1S/C14H16BrNO4/c1-20-12-3-2-10(8-11(12)15)13(17)16-6-4-9(5-7-16)14(18)19/h2-3,8-9H,4-7H2,1H3,(H,18,19)