tetramethyl 2-bromanyl-9-pyrrolidin-1-yl-5H-pyrrolo[1,2-a]azepine-5,6,7,8-tetracarboxylate

Systemtic Name: tetramethyl 2-bromanyl-9-pyrrolidin-1-yl-5H-pyrrolo[1,2-a]azepine-5,6,7,8-tetracarboxylate Openeye Name: tetramethyl 2-bromo-9-pyrrolidin-1-yl-5H-pyrrolo[1,2-a]azepine-5,6,7,8-tetracarboxylate CAS Name: 2-bromo-9-(1-pyrrolidinyl)-5H-pyrrolo[1,2-a]azepine-5,6,7,8-tetracarboxylic acid tetramethyl ester IUPAC Name: tetramethyl 2-bromo-9-pyrrolidin-1-yl-5H-pyrrolo[1,2-a]azepine-5,6,7,8-tetracarboxylate Traditional Name: 2-bromo-9-pyrrolidino-5H-pyrrol[1,2-a]azepine-5,6,7,8-tetracarboxylic acid tetramethyl ester Formula: C21H23BrN2O8 MolecularWeight: 511.31992

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(=C(C(=C(C2=CC(=CN12)Br)N3CCCC3)C(=O)OC)C(=O)OC)C(=O)OC

Isomeric SMILES

COC(=O)C1C(=C(C(=C(C2=CC(=CN12)Br)N3CCCC3)C(=O)OC)C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H23BrN2O8/c1-29-18(25)13-14(19(26)30-2)16(23-7-5-6-8-23)12-9-11(22)10-24(12)17(21(28)32-4)15(13)20(27)31-3/h9-10,17H,5-8H2,1-4H3