1-[(5-bromanyl-2-methoxy-phenyl)-(furan-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-(furan-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(2-furyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(2-furanyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-(furan-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(2-furyl)methyl]isonipecotic acid Formula: C18H20BrNO4 MolecularWeight: 394.2597

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(C2=CC=CO2)N3CCC(CC3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(C2=CC=CO2)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H20BrNO4/c1-23-15-5-4-13(19)11-14(15)17(16-3-2-10-24-16)20-8-6-12(7-9-20)18(21)22/h2-5,10-12,17H,6-9H2,1H3,(H,21,22)