hexyl 3-[2-azanyl-5-(2-fluoranyl-1H-inden-1-yl)-4-oxidanylidene-furan-3-yl]benzoate

Systemtic Name: hexyl 3-[2-azanyl-5-(2-fluoranyl-1H-inden-1-yl)-4-oxidanylidene-furan-3-yl]benzoate Openeye Name: hexyl 3-[2-amino-5-(2-fluoro-1H-inden-1-yl)-4-oxo-3-furyl]benzoate CAS Name: 3-[2-amino-5-(2-fluoro-1H-inden-1-yl)-4-oxo-3-furanyl]benzoic acid hexyl ester IUPAC Name: hexyl 3-[2-amino-5-(2-fluoro-1H-inden-1-yl)-4-oxofuran-3-yl]benzoate Traditional Name: 3-[2-amino-5-(2-fluoro-1H-inden-1-yl)-4-keto-3-furyl]benzoic acid hexyl ester Formula: C26H26FNO4 MolecularWeight: 435.487343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=CC(=C1)C2=C(OC(C2=O)C3C4=CC=CC=C4C=C3F)N

Isomeric SMILES

CCCCCCOC(=O)C1=CC=CC(=C1)C2=C(OC(C2=O)C3C4=CC=CC=C4C=C3F)N

InChI

InChI=1S/C26H26FNO4/c1-2-3-4-7-13-31-26(30)18-11-8-10-17(14-18)21-23(29)24(32-25(21)28)22-19-12-6-5-9-16(19)15-20(22)27/h5-6,8-12,14-15,22,24H,2-4,7,13,28H2,1H3