N-(4-bromanyl-2-methyl-phenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-butanamide CAS Name: N-(4-bromo-2-methylphenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanamide IUPAC Name: N-(4-bromo-2-methylphenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-butyramide Formula: C20H20BrNO4 MolecularWeight: 418.2811

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CCC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CCC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H20BrNO4/c1-13-11-15(21)4-5-16(13)22-20(24)8-6-17(23)14-3-7-18-19(12-14)26-10-2-9-25-18/h3-5,7,11-12H,2,6,8-10H2,1H3,(H,22,24)