1-[2-(2-bromanyl-6-methyl-1-benzofuran-3-yl)ethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(2-bromanyl-6-methyl-1-benzofuran-3-yl)ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(2-bromo-6-methyl-benzofuran-3-yl)acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(2-bromo-6-methyl-3-benzofuranyl)-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(2-bromo-6-methyl-1-benzofuran-3-yl)acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(2-bromo-6-methyl-benzofuran-3-yl)acetyl]isonipecotic acid Formula: C17H18BrNO4 MolecularWeight: 380.23312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(O2)Br)CC(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(O2)Br)CC(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C17H18BrNO4/c1-10-2-3-12-13(16(18)23-14(12)8-10)9-15(20)19-6-4-11(5-7-19)17(21)22/h2-3,8,11H,4-7,9H2,1H3,(H,21,22)