N-[1-(7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethyl]-2-methoxy-benzamide

Systemtic Name: N-[1-(7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethyl]-2-methoxy-benzamide Openeye Name: N-[1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethyl]-2-methoxy-benzamide CAS Name: N-[1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethyl]-2-methoxybenzamide IUPAC Name: N-[1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethyl]-2-methoxybenzamide Traditional Name: N-[1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethyl]-2-methoxy-benzamide Formula: C19H20BrNO4 MolecularWeight: 406.2704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1Br)OCCCO2)NC(=O)C3=CC=CC=C3OC

Isomeric SMILES

CC(C1=CC2=C(C=C1Br)OCCCO2)NC(=O)C3=CC=CC=C3OC

InChI

InChI=1S/C19H20BrNO4/c1-12(21-19(22)13-6-3-4-7-16(13)23-2)14-10-17-18(11-15(14)20)25-9-5-8-24-17/h3-4,6-7,10-12H,5,8-9H2,1-2H3,(H,21,22)