N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methyl-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methyl-2-(2-phenoxyethanoylamino)butanamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methyl-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methyl-2-[(2-phenoxyacetyl)amino]butyramide Formula: C21H23BrN2O5 MolecularWeight: 463.32172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC2=C(C=C1Br)OCCO2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)NC1=CC2=C(C=C1Br)OCCO2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C21H23BrN2O5/c1-13(2)20(24-19(25)12-29-14-6-4-3-5-7-14)21(26)23-16-11-18-17(10-15(16)22)27-8-9-28-18/h3-7,10-11,13,20H,8-9,12H2,1-2H3,(H,23,26)(H,24,25)