N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide

Systemtic Name: N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide Openeye Name: N-[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(hydroxymethyl)-2-oxo-ethyl]-7-methoxy-benzofuran-2-carboxamide CAS Name: N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-2-benzofurancarboxamide IUPAC Name: N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide Traditional Name: N-[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methylol-ethyl]-7-methoxy-coumarilamide Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C(=O)NC(CO)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C(=O)N[C@@H](CO)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H22N2O5/c1-28-18-8-4-7-15-11-19(29-20(15)18)21(26)23-17(13-25)22(27)24-10-9-14-5-2-3-6-16(14)12-24/h2-8,11,17,25H,9-10,12-13H2,1H3,(H,23,26)/t17-/m0/s1