methyl 5-[[2-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethylcarbamoylamino]methyl]-2-methoxy-benzoate

Systemtic Name: methyl 5-[[2-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethylcarbamoylamino]methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylcarbamoylamino]methyl]-2-methoxy-benzoate CAS Name: 5-[[[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylamino]-oxomethyl]amino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylcarbamoylamino]methyl]-2-methoxybenzoate Traditional Name: 5-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylcarbamoylamino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C21H23ClN2O6 MolecularWeight: 434.87012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)NCCC2=CC3=C(C(=C2)Cl)OCCO3)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)NCCC2=CC3=C(C(=C2)Cl)OCCO3)C(=O)OC

InChI

InChI=1S/C21H23ClN2O6/c1-27-17-4-3-14(9-15(17)20(25)28-2)12-24-21(26)23-6-5-13-10-16(22)19-18(11-13)29-7-8-30-19/h3-4,9-11H,5-8,12H2,1-2H3,(H2,23,24,26)