(3S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide

Systemtic Name: (3S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: (3S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-1-oxo-isochromane-3-carboxamide CAS Name: (3S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide Traditional Name: (3S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-keto-3-methyl-isochroman-3-carboxamide Formula: C20H19NO5 MolecularWeight: 353.36856

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C[C@]1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H19NO5/c1-20(12-13-5-2-3-6-15(13)18(22)26-20)19(23)21-14-7-8-16-17(11-14)25-10-4-9-24-16/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,21,23)/t20-/m0/s1