N-[(1S,2S)-2-(cyanomethylcarbamoyl)cyclohexyl]-5-methoxy-1-benzofuran-2-carboxamide

Systemtic Name: N-[(1S,2S)-2-(cyanomethylcarbamoyl)cyclohexyl]-5-methoxy-1-benzofuran-2-carboxamide Openeye Name: N-[(1S,2S)-2-(cyanomethylcarbamoyl)cyclohexyl]-5-methoxy-benzofuran-2-carboxamide CAS Name: N-[(1S,2S)-2-[(cyanomethylamino)-oxomethyl]cyclohexyl]-5-methoxy-2-benzofurancarboxamide IUPAC Name: N-[(1S,2S)-2-(cyanomethylcarbamoyl)cyclohexyl]-5-methoxy-1-benzofuran-2-carboxamide Traditional Name: N-[(1S,2S)-2-(cyanomethylcarbamoyl)cyclohexyl]-5-methoxy-coumarilamide Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(=C2)C(=O)NC3CCCCC3C(=O)NCC#N

Isomeric SMILES

COC1=CC2=C(C=C1)OC(=C2)C(=O)N[C@H]3CCCC[C@@H]3C(=O)NCC#N

InChI

InChI=1S/C19H21N3O4/c1-25-13-6-7-16-12(10-13)11-17(26-16)19(24)22-15-5-3-2-4-14(15)18(23)21-9-8-20/h6-7,10-11,14-15H,2-5,9H2,1H3,(H,21,23)(H,22,24)/t14-,15-/m0/s1