N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide

Systemtic Name: N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide Openeye Name: N-[(1S)-2-(1,3-benzodioxol-5-ylmethylamino)-1-(hydroxymethyl)-2-oxo-ethyl]-7-methoxy-benzofuran-2-carboxamide CAS Name: N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-2-benzofurancarboxamide IUPAC Name: N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-(piperonylamino)ethyl]-7-methoxy-coumarilamide Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C(=O)NC(CO)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C(=O)N[C@@H](CO)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20N2O7/c1-27-16-4-2-3-13-8-18(30-19(13)16)21(26)23-14(10-24)20(25)22-9-12-5-6-15-17(7-12)29-11-28-15/h2-8,14,24H,9-11H2,1H3,(H,22,25)(H,23,26)/t14-/m0/s1