2-(1-adamantylcarbonyl)-2-azanyl-4-dibenzofuran-2-yl-4-oxidanylidene-butanoic acid

Systemtic Name: 2-(1-adamantylcarbonyl)-2-azanyl-4-dibenzofuran-2-yl-4-oxidanylidene-butanoic acid Openeye Name: 2-(adamantane-1-carbonyl)-2-amino-4-dibenzofuran-2-yl-4-oxo-butanoic acid CAS Name: 2-[1-adamantyl(oxo)methyl]-2-amino-4-(2-dibenzofuranyl)-4-oxobutanoic acid IUPAC Name: 2-(adamantane-1-carbonyl)-2-amino-4-dibenzofuran-2-yl-4-oxobutanoic acid Traditional Name: 2-(adamantane-1-carbonyl)-2-amino-4-dibenzofuran-2-yl-4-keto-butyric acid Formula: C27H27NO5 MolecularWeight: 445.50698

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)C(CC(=O)C4=CC5=C(C=C4)OC6=CC=CC=C65)(C(=O)O)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)C(CC(=O)C4=CC5=C(C=C4)OC6=CC=CC=C65)(C(=O)O)N

InChI

InChI=1S/C27H27NO5/c28-27(25(31)32,24(30)26-11-15-7-16(12-26)9-17(8-15)13-26)14-21(29)18-5-6-23-20(10-18)19-3-1-2-4-22(19)33-23/h1-6,10,15-17H,7-9,11-14,28H2,(H,31,32)