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

Systemtic Name: N-[1-(7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethyl]-3-methoxy-benzamide Openeye Name: N-[1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethyl]-3-methoxy-benzamide CAS Name: N-[1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethyl]-3-methoxybenzamide IUPAC Name: N-[1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethyl]-3-methoxybenzamide Traditional Name: N-[1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethyl]-3-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=C3)OC

Isomeric SMILES

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

InChI

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