(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-(cyclopropylcarbonylamino)benzoate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-(cyclopropylcarbonylamino)benzoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-(cyclopropanecarbonylamino)benzoate CAS Name: 4-[[cyclopropyl(oxo)methyl]amino]benzoic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-(cyclopropanecarbonylamino)benzoate Traditional Name: 4-(cyclopropanecarbonylamino)benzoic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C20H18BrNO5 MolecularWeight: 432.26462

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=C(C=C2)C(=O)OCC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

C1CC1C(=O)NC2=CC=C(C=C2)C(=O)OCC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C20H18BrNO5/c21-16-10-18-17(25-7-8-26-18)9-14(16)11-27-20(24)13-3-5-15(6-4-13)22-19(23)12-1-2-12/h3-6,9-10,12H,1-2,7-8,11H2,(H,22,23)