1,2-diaminocarbonyl-3-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenyl-piperidine-4-carboxylic acid

Systemtic Name: 1,2-diaminocarbonyl-3-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenyl-piperidine-4-carboxylic acid Openeye Name: 1,2-dicarbamoyl-3-(2,3-dihydrobenzofuran-5-ylmethyl)-2-phenyl-piperidine-4-carboxylic acid CAS Name: 1,2-dicarbamoyl-3-(2,3-dihydrobenzofuran-5-ylmethyl)-2-phenyl-4-piperidinecarboxylic acid IUPAC Name: 1,2-dicarbamoyl-3-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenylpiperidine-4-carboxylic acid Traditional Name: 1,2-dicarbamoyl-3-(coumaran-5-ylmethyl)-2-phenyl-isonipecotic acid Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(C1C(=O)O)CC2=CC3=C(C=C2)OCC3)(C4=CC=CC=C4)C(=O)N)C(=O)N

Isomeric SMILES

C1CN(C(C(C1C(=O)O)CC2=CC3=C(C=C2)OCC3)(C4=CC=CC=C4)C(=O)N)C(=O)N

InChI

InChI=1S/C23H25N3O5/c24-21(29)23(16-4-2-1-3-5-16)18(17(20(27)28)8-10-26(23)22(25)30)13-14-6-7-19-15(12-14)9-11-31-19/h1-7,12,17-18H,8-11,13H2,(H2,24,29)(H2,25,30)(H,27,28)