[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 9H-xanthene-9-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 9H-xanthene-9-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4C5=CC=CC=C5OC6=CC=CC=C46

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4C5=CC=CC=C5OC6=CC=CC=C46

InChI

InChI=1S/C26H27NO4/c28-23(27-26-12-16-9-17(13-26)11-18(10-16)14-26)15-30-25(29)24-19-5-1-3-7-21(19)31-22-8-4-2-6-20(22)24/h1-8,16-18,24H,9-15H2,(H,27,28)