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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

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