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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(4-benzyloxy-3-methoxy-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(4-benzoxy-3-methoxy-phenyl)methyl]nipecotic 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)N4CCCC(C4)C(=O)O)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCC(C4)C(=O)O)OCC5=CC=CC=C5

InChI

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