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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(2-methoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(2-methoxyphenyl)methyl]isonipecotic acid Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C2=CC3=C(C=C2)OCO3)N4CCC(CC4)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C(C2=CC3=C(C=C2)OCO3)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C21H23NO5/c1-25-17-5-3-2-4-16(17)20(22-10-8-14(9-11-22)21(23)24)15-6-7-18-19(12-15)27-13-26-18/h2-7,12,14,20H,8-11,13H2,1H3,(H,23,24)