2-(1-adamantyl)ethyl 5-[[2,5-bis(oxidanyl)phenyl]methylamino]-2-oxidanyl-benzoate

Systemtic Name: 2-(1-adamantyl)ethyl 5-[[2,5-bis(oxidanyl)phenyl]methylamino]-2-oxidanyl-benzoate Openeye Name: 2-(1-adamantyl)ethyl 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-benzoate CAS Name: 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxybenzoic acid 2-(1-adamantyl)ethyl ester IUPAC Name: 2-(1-adamantyl)ethyl 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxybenzoate Traditional Name: 5-[(2,5-dihydroxybenzyl)amino]-2-hydroxy-benzoic acid 2-(1-adamantyl)ethyl ester Formula: C26H31NO5 MolecularWeight: 437.52804

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CCOC(=O)C4=C(C=CC(=C4)NCC5=C(C=CC(=C5)O)O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CCOC(=O)C4=C(C=CC(=C4)NCC5=C(C=CC(=C5)O)O)O

InChI

InChI=1S/C26H31NO5/c28-21-2-4-23(29)19(10-21)15-27-20-1-3-24(30)22(11-20)25(31)32-6-5-26-12-16-7-17(13-26)9-18(8-16)14-26/h1-4,10-11,16-18,27-30H,5-9,12-15H2