7-methoxy-N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(quinolin-6-ylamino)propan-2-yl]-1-benzofuran-2-carboxamide

Systemtic Name: 7-methoxy-N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(quinolin-6-ylamino)propan-2-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-oxo-2-(6-quinolylamino)ethyl]-7-methoxy-benzofuran-2-carboxamide CAS Name: N-[(2S)-3-hydroxy-1-oxo-1-(6-quinolinylamino)propan-2-yl]-7-methoxy-2-benzofurancarboxamide IUPAC Name: N-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-(6-quinolylamino)ethyl]-7-methoxy-coumarilamide Formula: C22H19N3O5 MolecularWeight: 405.40336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C(=O)NC(CO)C(=O)NC3=CC4=C(C=C3)N=CC=C4

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C(=O)N[C@@H](CO)C(=O)NC3=CC4=C(C=C3)N=CC=C4

InChI

InChI=1S/C22H19N3O5/c1-29-18-6-2-4-14-11-19(30-20(14)18)22(28)25-17(12-26)21(27)24-15-7-8-16-13(10-15)5-3-9-23-16/h2-11,17,26H,12H2,1H3,(H,24,27)(H,25,28)/t17-/m0/s1