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

Systemtic Name: 1-adamantylmethyl 4-[[2,5-bis(oxidanyl)phenyl]methylamino]benzoate Openeye Name: 1-adamantylmethyl 4-[(2,5-dihydroxyphenyl)methylamino]benzoate CAS Name: 4-[(2,5-dihydroxyphenyl)methylamino]benzoic acid 1-adamantylmethyl ester IUPAC Name: 1-adamantylmethyl 4-[(2,5-dihydroxyphenyl)methylamino]benzoate Traditional Name: 4-[(2,5-dihydroxybenzyl)amino]benzoic acid 1-adamantylmethyl ester Formula: C25H29NO4 MolecularWeight: 407.50206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO4/c27-22-5-6-23(28)20(10-22)14-26-21-3-1-19(2-4-21)24(29)30-15-25-11-16-7-17(12-25)9-18(8-16)13-25/h1-6,10,16-18,26-28H,7-9,11-15H2