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

Systemtic Name: 1-adamantyl 4-[[2,5-bis(oxidanyl)phenyl]methylamino]benzoate Openeye Name: 1-adamantyl 4-[(2,5-dihydroxyphenyl)methylamino]benzoate CAS Name: 4-[(2,5-dihydroxyphenyl)methylamino]benzoic acid 1-adamantyl ester IUPAC Name: 1-adamantyl 4-[(2,5-dihydroxyphenyl)methylamino]benzoate Traditional Name: 4-[(2,5-dihydroxybenzyl)amino]benzoic acid 1-adamantyl ester Formula: C24H27NO4 MolecularWeight: 393.47548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO4/c26-21-5-6-22(27)19(10-21)14-25-20-3-1-18(2-4-20)23(28)29-24-11-15-7-16(12-24)9-17(8-15)13-24/h1-6,10,15-17,25-27H,7-9,11-14H2