2-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)-3-oxidanylidene-butanoic acid

Systemtic Name: 2-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)-3-oxidanylidene-butanoic acid Openeye Name: 2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)-3-oxo-butanoic acid CAS Name: 2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)-3-oxobutanoic acid IUPAC Name: 2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)-3-oxobutanoic acid Traditional Name: 2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)-3-keto-butyric acid Formula: C27H32FN3O5 MolecularWeight: 497.558483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C2C(=C1)CN(C2=N)C(C(=O)C)(C(=O)O)N3CCC(C4=CC=CC=C43)(C)C)F)OCC

Isomeric SMILES

CCOC1=C(C(=C2C(=C1)CN(C2=N)C(C(=O)C)(C(=O)O)N3CCC(C4=CC=CC=C43)(C)C)F)OCC

InChI

InChI=1S/C27H32FN3O5/c1-6-35-20-14-17-15-31(24(29)21(17)22(28)23(20)36-7-2)27(16(3)32,25(33)34)30-13-12-26(4,5)18-10-8-9-11-19(18)30/h8-11,14,29H,6-7,12-13,15H2,1-5H3,(H,33,34)