[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 1,4-dihydroxynaphthalene-2-carboxylate CAS Name: 1,4-dihydroxy-2-naphthalenecarboxylic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate Traditional Name: 1,4-dihydroxynaphthalene-2-carboxylic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C24H27NO5 MolecularWeight: 409.47488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)C4=C(C5=CC=CC=C5C(=C4)O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)C4=C(C5=CC=CC=C5C(=C4)O)O

InChI

InChI=1S/C24H27NO5/c26-20-8-19(22(28)18-4-2-1-3-17(18)20)23(29)30-12-21(27)25-13-24-9-14-5-15(10-24)7-16(6-14)11-24/h1-4,8,14-16,26,28H,5-7,9-13H2,(H,25,27)