1-[1,3-benzodioxol-5-yl-(3-fluoranyl-4-methoxy-phenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(3-fluoranyl-4-methoxy-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(3-fluoro-4-methoxy-phenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(3-fluoro-4-methoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(3-fluoro-4-methoxy-phenyl)methyl]isonipecotic acid Formula: C21H22FNO5 MolecularWeight: 387.401483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC3=C(C=C2)OCO3)N4CCC(CC4)C(=O)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC3=C(C=C2)OCO3)N4CCC(CC4)C(=O)O)F

InChI

InChI=1S/C21H22FNO5/c1-26-17-4-2-14(10-16(17)22)20(23-8-6-13(7-9-23)21(24)25)15-3-5-18-19(11-15)28-12-27-18/h2-5,10-11,13,20H,6-9,12H2,1H3,(H,24,25)