2-(1-adamantyl)ethyl 4-[[2,5-bis(oxidanyl)phenyl]methylamino]benzoate

Systemtic Name: 2-(1-adamantyl)ethyl 4-[[2,5-bis(oxidanyl)phenyl]methylamino]benzoate Openeye Name: 2-(1-adamantyl)ethyl 4-[(2,5-dihydroxyphenyl)methylamino]benzoate CAS Name: 4-[(2,5-dihydroxyphenyl)methylamino]benzoic acid 2-(1-adamantyl)ethyl ester IUPAC Name: 2-(1-adamantyl)ethyl 4-[(2,5-dihydroxyphenyl)methylamino]benzoate Traditional Name: 4-[(2,5-dihydroxybenzyl)amino]benzoic acid 2-(1-adamantyl)ethyl ester Formula: C26H31NO4 MolecularWeight: 421.52864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31NO4/c28-23-5-6-24(29)21(12-23)16-27-22-3-1-20(2-4-22)25(30)31-8-7-26-13-17-9-18(14-26)11-19(10-17)15-26/h1-6,12,17-19,27-29H,7-11,13-16H2