methyl 5-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoylamino)methyl]-2-methoxy-benzoate

Systemtic Name: methyl 5-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoylamino)methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoylamino)methyl]-2-methoxy-benzoate CAS Name: 5-[[[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-oxomethyl]amino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoylamino)methyl]-2-methoxybenzoate Traditional Name: 5-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoylamino)methyl]-2-methoxy-benzoic acid methyl ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)NCC2=CC3=C(C=C2)OCCO3)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)NCC2=CC3=C(C=C2)OCCO3)C(=O)OC

InChI

InChI=1S/C20H22N2O6/c1-25-16-5-3-13(9-15(16)19(23)26-2)11-21-20(24)22-12-14-4-6-17-18(10-14)28-8-7-27-17/h3-6,9-10H,7-8,11-12H2,1-2H3,(H2,21,22,24)