2-[2-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-1,4-diethanoyl-3,3-dimethyl-indol-2-yl]ethanoic acid

Systemtic Name: 2-[2-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-1,4-diethanoyl-3,3-dimethyl-indol-2-yl]ethanoic acid Openeye Name: 2-[1,4-diacetyl-2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-3,3-dimethyl-indolin-2-yl]acetic acid CAS Name: 2-[1,4-diacetyl-2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-3,3-dimethyl-2-indolyl]acetic acid IUPAC Name: 2-[1,4-diacetyl-2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-3,3-dimethylindol-2-yl]acetic acid Traditional Name: 2-[1,4-diacetyl-2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-3,3-dimethyl-indolin-2-yl]acetic acid Formula: C28H32FN3O6 MolecularWeight: 525.568583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C2C(=C1)CN(C2=N)C3(C(C4=C(C=CC=C4N3C(=O)C)C(=O)C)(C)C)CC(=O)O)F)OCC

Isomeric SMILES

CCOC1=C(C(=C2C(=C1)CN(C2=N)C3(C(C4=C(C=CC=C4N3C(=O)C)C(=O)C)(C)C)CC(=O)O)F)OCC

InChI

InChI=1S/C28H32FN3O6/c1-7-37-20-12-17-14-31(26(30)22(17)24(29)25(20)38-8-2)28(13-21(35)36)27(5,6)23-18(15(3)33)10-9-11-19(23)32(28)16(4)34/h9-12,30H,7-8,13-14H2,1-6H3,(H,35,36)