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

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] anthracene-9-carboxylate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] anthracene-9-carboxylate CAS Name: 9-anthracenecarboxylic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] anthracene-9-carboxylate Traditional Name: anthracene-9-carboxylic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C28H29NO3 MolecularWeight: 427.53476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29NO3/c30-25(29-17-28-13-18-9-19(14-28)11-20(10-18)15-28)16-32-27(31)26-23-7-3-1-5-21(23)12-22-6-2-4-8-24(22)26/h1-8,12,18-20H,9-11,13-17H2,(H,29,30)