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

Systemtic Name: 2,4,4-trimethylpentyl 5-[[2,5-bis(oxidanyl)phenyl]methylamino]-2-oxidanyl-benzoate Openeye Name: 2,4,4-trimethylpentyl 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-benzoate CAS Name: 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxybenzoic acid 2,4,4-trimethylpentyl ester IUPAC Name: 2,4,4-trimethylpentyl 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxybenzoate Traditional Name: 5-[(2,5-dihydroxybenzyl)amino]-2-hydroxy-benzoic acid 2,4,4-trimethylpentyl ester Formula: C22H29NO5 MolecularWeight: 387.46936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)(C)C)COC(=O)C1=C(C=CC(=C1)NCC2=C(C=CC(=C2)O)O)O

Isomeric SMILES

CC(CC(C)(C)C)COC(=O)C1=C(C=CC(=C1)NCC2=C(C=CC(=C2)O)O)O

InChI

InChI=1S/C22H29NO5/c1-14(11-22(2,3)4)13-28-21(27)18-10-16(5-7-20(18)26)23-12-15-9-17(24)6-8-19(15)25/h5-10,14,23-26H,11-13H2,1-4H3