(6-bromanyl-1,3-benzodioxol-5-yl)methyl 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-cyclopropyl-2,5-dimethyl-3-pyrrolecarboxylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C18H18BrNO4 MolecularWeight: 392.24382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)OCC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)OCC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C18H18BrNO4/c1-10-5-14(11(2)20(10)13-3-4-13)18(21)22-8-12-6-16-17(7-15(12)19)24-9-23-16/h5-7,13H,3-4,8-9H2,1-2H3