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

Systemtic Name: 2-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-2-ethanoyl-1-phenyl-cyclopentane-1-carboxylic acid Openeye Name: 2-acetyl-2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-1-phenyl-cyclopentanecarboxylic acid CAS Name: 2-acetyl-2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-1-phenyl-1-cyclopentanecarboxylic acid IUPAC Name: 2-acetyl-2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-1-phenylcyclopentane-1-carboxylic acid Traditional Name: 2-acetyl-2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-1-phenyl-cyclopentanecarboxylic acid Formula: C26H29FN2O5 MolecularWeight: 468.517263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C2C(=C1)CN(C2=N)C3(CCCC3(C4=CC=CC=C4)C(=O)O)C(=O)C)F)OCC

Isomeric SMILES

CCOC1=C(C(=C2C(=C1)CN(C2=N)C3(CCCC3(C4=CC=CC=C4)C(=O)O)C(=O)C)F)OCC

InChI

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