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

Systemtic Name: 3-bromanyl-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-ethoxy-5-methoxy-benzamide Openeye Name: 3-bromo-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-ethoxy-5-methoxy-benzamide CAS Name: 3-bromo-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-ethoxy-5-methoxybenzamide IUPAC Name: 3-bromo-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-ethoxy-5-methoxybenzamide Traditional Name: 3-bromo-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-ethoxy-5-methoxy-benzamide Formula: C21H24BrNO5 MolecularWeight: 450.32296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)NC(C)C2=CC3=C(C=C2)OCCCO3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)NC(C)C2=CC3=C(C=C2)OCCCO3)OC

InChI

InChI=1S/C21H24BrNO5/c1-4-26-20-16(22)10-15(12-19(20)25-3)21(24)23-13(2)14-6-7-17-18(11-14)28-9-5-8-27-17/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,23,24)