(7-fluoranyl-1-methyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 4-(1-adamantylcarbonylamino)butanoate

Systemtic Name: (7-fluoranyl-1-methyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 4-(1-adamantylcarbonylamino)butanoate Openeye Name: (7-fluoro-1-methyl-3-oxo-indan-4-yl) 4-(adamantane-1-carbonylamino)butanoate CAS Name: 4-[[1-adamantyl(oxo)methyl]amino]butanoic acid (7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl) ester IUPAC Name: (7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl) 4-(adamantane-1-carbonylamino)butanoate Traditional Name: 4-(adamantane-1-carbonylamino)butyric acid (7-fluoro-3-keto-1-methyl-indan-4-yl) ester Formula: C25H30FNO4 MolecularWeight: 427.508403

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2=C(C=CC(=C12)F)OC(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1CC(=O)C2=C(C=CC(=C12)F)OC(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H30FNO4/c1-14-7-19(28)23-20(5-4-18(26)22(14)23)31-21(29)3-2-6-27-24(30)25-11-15-8-16(12-25)10-17(9-15)13-25/h4-5,14-17H,2-3,6-13H2,1H3,(H,27,30)