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

Systemtic Name: methyl 4-[[2-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethylcarbamoylamino]methyl]benzoate Openeye Name: methyl 4-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylcarbamoylamino]methyl]benzoate CAS Name: 4-[[[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylamino]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylcarbamoylamino]methyl]benzoate Traditional Name: 4-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylcarbamoylamino]methyl]benzoic acid methyl ester Formula: C20H21ClN2O5 MolecularWeight: 404.84414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)NCCC2=CC3=C(C(=C2)Cl)OCCO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)NCCC2=CC3=C(C(=C2)Cl)OCCO3

InChI

InChI=1S/C20H21ClN2O5/c1-26-19(24)15-4-2-13(3-5-15)12-23-20(25)22-7-6-14-10-16(21)18-17(11-14)27-8-9-28-18/h2-5,10-11H,6-9,12H2,1H3,(H2,22,23,25)