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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(4-benzyloxy-3-methoxy-phenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(4-benzoxy-3-methoxy-phenyl)methyl]isonipecotic acid Formula: C28H29NO6 MolecularWeight: 475.53296

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C2=CC3=C(C=C2)OCO3)N4CCC(CC4)C(=O)O)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=CC3=C(C=C2)OCO3)N4CCC(CC4)C(=O)O)OCC5=CC=CC=C5

InChI

InChI=1S/C28H29NO6/c1-32-25-15-21(7-9-23(25)33-17-19-5-3-2-4-6-19)27(29-13-11-20(12-14-29)28(30)31)22-8-10-24-26(16-22)35-18-34-24/h2-10,15-16,20,27H,11-14,17-18H2,1H3,(H,30,31)