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

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2,4-bis(oxidanyl)benzoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 2,4-dihydroxybenzoate CAS Name: 2,4-dihydroxybenzoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 2,4-dihydroxybenzoate Traditional Name: 2,4-dihydroxybenzoic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C20H25NO5 MolecularWeight: 359.4162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)C4=C(C=C(C=C4)O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)C4=C(C=C(C=C4)O)O

InChI

InChI=1S/C20H25NO5/c22-15-1-2-16(17(23)6-15)19(25)26-10-18(24)21-11-20-7-12-3-13(8-20)5-14(4-12)9-20/h1-2,6,12-14,22-23H,3-5,7-11H2,(H,21,24)