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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(4-benzyloxy-3-methoxy-phenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(4-benzoxy-3-methoxy-phenyl)methyl]pipecolinic 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)N4CCCCC4C(=O)O)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCCC4C(=O)O)OCC5=CC=CC=C5

InChI

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