phenyl 2-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-1-ethanoyl-cyclopentane-1-carboxylate hydrobromide

Systemtic Name: phenyl 2-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-1-ethanoyl-cyclopentane-1-carboxylate hydrobromide Openeye Name: phenyl 1-acetyl-2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)cyclopentanecarboxylate hydrobromide CAS Name: 1-acetyl-2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-1-cyclopentanecarboxylic acid phenyl ester hydrobromide IUPAC Name: phenyl 1-acetyl-2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)cyclopentane-1-carboxylate hydrobromide Traditional Name: 1-acetyl-2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)cyclopentanecarboxylic acid phenyl ester hydrobromide Formula: C26H30BrFN2O5 MolecularWeight: 549.429203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C2C(=C1)CN(C2=N)C3CCCC3(C(=O)C)C(=O)OC4=CC=CC=C4)F)OCC.Br

Isomeric SMILES

CCOC1=C(C(=C2C(=C1)CN(C2=N)C3CCCC3(C(=O)C)C(=O)OC4=CC=CC=C4)F)OCC.Br

InChI

InChI=1S/C26H29FN2O5.BrH/c1-4-32-19-14-17-15-29(24(28)21(17)22(27)23(19)33-5-2)20-12-9-13-26(20,16(3)30)25(31)34-18-10-7-6-8-11-18;/h6-8,10-11,14,20,28H,4-5,9,12-13,15H2,1-3H3;1H