1-[[4-chloranyl-2-(2,3-dihydro-1-benzofuran-5-ylmethylcarbamoyl)phenyl]carbamoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[4-chloranyl-2-(2,3-dihydro-1-benzofuran-5-ylmethylcarbamoyl)phenyl]carbamoyl]piperidine-4-carboxylic acid Openeye Name: 1-[[4-chloro-2-(2,3-dihydrobenzofuran-5-ylmethylcarbamoyl)phenyl]carbamoyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-chloro-2-[(2,3-dihydrobenzofuran-5-ylmethylamino)-oxomethyl]anilino]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[4-chloro-2-(2,3-dihydro-1-benzofuran-5-ylmethylcarbamoyl)phenyl]carbamoyl]piperidine-4-carboxylic acid Traditional Name: 1-[[4-chloro-2-(coumaran-5-ylmethylcarbamoyl)phenyl]carbamoyl]isonipecotic acid Formula: C23H24ClN3O5 MolecularWeight: 457.90676

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)NC2=C(C=C(C=C2)Cl)C(=O)NCC3=CC4=C(C=C3)OCC4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)NC2=C(C=C(C=C2)Cl)C(=O)NCC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C23H24ClN3O5/c24-17-2-3-19(26-23(31)27-8-5-15(6-9-27)22(29)30)18(12-17)21(28)25-13-14-1-4-20-16(11-14)7-10-32-20/h1-4,11-12,15H,5-10,13H2,(H,25,28)(H,26,31)(H,29,30)