methyl 2-[2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanoylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanoylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[[2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetyl]amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-oxoethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetyl]amino]-4,5-dimethoxybenzoate Traditional Name: 2-[[2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C21H22ClNO7 MolecularWeight: 435.85488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CC2=CC3=C(C(=C2)Cl)OCCCO3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CC2=CC3=C(C(=C2)Cl)OCCCO3)OC

InChI

InChI=1S/C21H22ClNO7/c1-26-16-10-13(21(25)28-3)15(11-17(16)27-2)23-19(24)9-12-7-14(22)20-18(8-12)29-5-4-6-30-20/h7-8,10-11H,4-6,9H2,1-3H3,(H,23,24)