[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 5-(phenoxymethyl)furan-2-carboxylate CAS Name: 5-(phenoxymethyl)-2-furancarboxylic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate Traditional Name: 5-(phenoxymethyl)furan-2-carboxylic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C25H29NO5 MolecularWeight: 423.50146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC=C(O4)COC5=CC=CC=C5

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC=C(O4)COC5=CC=CC=C5

InChI

InChI=1S/C25H29NO5/c1-16(23(27)26-25-12-17-9-18(13-25)11-19(10-17)14-25)30-24(28)22-8-7-21(31-22)15-29-20-5-3-2-4-6-20/h2-8,16-19H,9-15H2,1H3,(H,26,27)/t16-,17?,18?,19?,25?/m1/s1