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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] anthracene-9-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] anthracene-9-carboxylate CAS Name: 9-anthracenecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] anthracene-9-carboxylate Traditional Name: anthracene-9-carboxylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C27H27NO3 MolecularWeight: 413.50818

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=C5C=CC=CC5=CC6=CC=CC=C64

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=C5C=CC=CC5=CC6=CC=CC=C64

InChI

InChI=1S/C27H27NO3/c29-24(28-27-13-17-9-18(14-27)11-19(10-17)15-27)16-31-26(30)25-22-7-3-1-5-20(22)12-21-6-2-4-8-23(21)25/h1-8,12,17-19H,9-11,13-16H2,(H,28,29)