[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxidanylidene-propan-2-yl] adamantane-1-carboxylate

Systemtic Name: [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxidanylidene-propan-2-yl] adamantane-1-carboxylate Openeye Name: [2-[(2-methoxydibenzofuran-3-yl)amino]-1-methyl-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [1-[(2-methoxy-3-dibenzofuranyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-keto-2-[(2-methoxydibenzofuran-3-yl)amino]-1-methyl-ethyl] ester Formula: C27H29NO5 MolecularWeight: 447.52286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C2C3=CC=CC=C3OC2=C1)OC)OC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC(C(=O)NC1=C(C=C2C3=CC=CC=C3OC2=C1)OC)OC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H29NO5/c1-15(32-26(30)27-12-16-7-17(13-27)9-18(8-16)14-27)25(29)28-21-11-23-20(10-24(21)31-2)19-5-3-4-6-22(19)33-23/h3-6,10-11,15-18H,7-9,12-14H2,1-2H3,(H,28,29)