3-bromanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-ethoxy-4-methoxy-benzamide

Systemtic Name: 3-bromanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-ethoxy-4-methoxy-benzamide Openeye Name: 3-bromo-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-ethoxy-4-methoxy-benzamide CAS Name: 3-bromo-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-ethoxy-4-methoxybenzamide IUPAC Name: 3-bromo-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-ethoxy-4-methoxybenzamide Traditional Name: 3-bromo-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-ethoxy-4-methoxy-benzamide Formula: C19H20BrNO5 MolecularWeight: 422.2698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)NC2=CC3=C(C=C2)OCCCO3)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)NC2=CC3=C(C=C2)OCCCO3)Br)OC

InChI

InChI=1S/C19H20BrNO5/c1-3-24-17-10-12(9-14(20)18(17)23-2)19(22)21-13-5-6-15-16(11-13)26-8-4-7-25-15/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,21,22)