(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 4-(furan-2-ylcarbonylamino)benzoate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 4-(furan-2-ylcarbonylamino)benzoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 4-(furan-2-carbonylamino)benzoate CAS Name: 4-[[2-furanyl(oxo)methyl]amino]benzoic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 4-(furan-2-carbonylamino)benzoate Traditional Name: 4-(2-furoylamino)benzoic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C22H18ClNO6 MolecularWeight: 427.83442

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)COC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CO4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)COC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CO4)Cl)OC1

InChI

InChI=1S/C22H18ClNO6/c23-17-11-14(12-19-20(17)29-10-2-9-28-19)13-30-22(26)15-4-6-16(7-5-15)24-21(25)18-3-1-8-27-18/h1,3-8,11-12H,2,9-10,13H2,(H,24,25)