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

Systemtic Name: 1-[(2-phenylmethoxynaphtho[1,2-f][1,3]benzodioxol-5-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2-benzyloxynaphtho[1,2-f][1,3]benzodioxol-5-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-phenylmethoxy-5-naphtho[1,2-f][1,3]benzodioxolyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-phenylmethoxynaphtho[1,2-f][1,3]benzodioxol-5-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2-benzoxynaphtho[1,2-f][1,3]benzodioxol-5-yl)methyl]isonipecotic acid Formula: C29H27NO5 MolecularWeight: 469.52838

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CC2=C3C=CC(=CC3=C4C=C5C(=CC4=C2)OCO5)OCC6=CC=CC=C6

Isomeric SMILES

C1CN(CCC1C(=O)O)CC2=C3C=CC(=CC3=C4C=C5C(=CC4=C2)OCO5)OCC6=CC=CC=C6

InChI

InChI=1S/C29H27NO5/c31-29(32)20-8-10-30(11-9-20)16-22-12-21-13-27-28(35-18-34-27)15-25(21)26-14-23(6-7-24(22)26)33-17-19-4-2-1-3-5-19/h1-7,12-15,20H,8-11,16-18H2,(H,31,32)