N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2,4,5-trimethoxy-benzamide

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2,4,5-trimethoxy-benzamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2,4,5-trimethoxy-benzamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2,4,5-trimethoxybenzamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2,4,5-trimethoxybenzamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2,4,5-trimethoxy-benzamide Formula: C20H22ClNO6 MolecularWeight: 407.84478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3)OC)OC

InChI

InChI=1S/C20H22ClNO6/c1-24-15-10-17(26-3)16(25-2)9-13(15)20(23)22-11-12-7-14(21)19-18(8-12)27-5-4-6-28-19/h7-10H,4-6,11H2,1-3H3,(H,22,23)