ethyl 5-(1,3-benzodioxol-5-ylcarbonylamino)-2-morpholin-4-yl-benzoate

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylcarbonylamino)-2-morpholin-4-yl-benzoate Openeye Name: ethyl 5-(1,3-benzodioxole-5-carbonylamino)-2-morpholino-benzoate CAS Name: 5-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-2-(4-morpholinyl)benzoic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxole-5-carbonylamino)-2-morpholin-4-ylbenzoate Traditional Name: 2-morpholino-5-(piperonyloylamino)benzoic acid ethyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCO3)N4CCOCC4

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCO3)N4CCOCC4

InChI

InChI=1S/C21H22N2O6/c1-2-27-21(25)16-12-15(4-5-17(16)23-7-9-26-10-8-23)22-20(24)14-3-6-18-19(11-14)29-13-28-18/h3-6,11-12H,2,7-10,13H2,1H3,(H,22,24)