(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-[(isopropylcarbamoylamino)methyl]benzoate CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]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-[(propan-2-ylcarbamoylamino)methyl]benzoate Traditional Name: 4-[(isopropylcarbamoylamino)methyl]benzoic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C21H23BrN2O5 MolecularWeight: 463.32172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OCC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OCC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C21H23BrN2O5/c1-13(2)24-21(26)23-11-14-3-5-15(6-4-14)20(25)29-12-16-9-18-19(10-17(16)22)28-8-7-27-18/h3-6,9-10,13H,7-8,11-12H2,1-2H3,(H2,23,24,26)