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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5/c1-25-16-6-4-5-14(11-16)20(22-10-3-2-7-17(22)21(23)24)15-8-9-18-19(12-15)27-13-26-18/h4-6,8-9,11-12,17,20H,2-3,7,10,13H2,1H3,(H,23,24)