1-[1,3-benzodioxol-5-yl-(3-fluoranyl-4-methoxy-phenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(3-fluoranyl-4-methoxy-phenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(3-fluoro-4-methoxy-phenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(3-fluoro-4-methoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(3-fluoro-4-methoxy-phenyl)methyl]pipecolinic 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)N4CCCCC4C(=O)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCCC4C(=O)O)F

InChI

InChI=1S/C21H22FNO5/c1-26-17-7-5-13(10-15(17)22)20(23-9-3-2-4-16(23)21(24)25)14-6-8-18-19(11-14)28-12-27-18/h5-8,10-11,16,20H,2-4,9,12H2,1H3,(H,24,25)