(3S)-N-(2,4-dimorpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3S)-N-(2,4-dimorpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3S)-N-(2,4-dimorpholinophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3S)-N-[2,4-bis(4-morpholinyl)phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3S)-N-(2,4-dimorpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3S)-N-(2,4-dimorpholinophenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=C(C=C2)NC(=O)C3COC4=CC=CC=C4O3)N5CCOCC5

Isomeric SMILES

C1COCCN1C2=CC(=C(C=C2)NC(=O)[C@@H]3COC4=CC=CC=C4O3)N5CCOCC5

InChI

InChI=1S/C23H27N3O5/c27-23(22-16-30-20-3-1-2-4-21(20)31-22)24-18-6-5-17(25-7-11-28-12-8-25)15-19(18)26-9-13-29-14-10-26/h1-6,15,22H,7-14,16H2,(H,24,27)/t22-/m0/s1