2,4-dimethylpentan-3-yl 4-[[2,5-bis(oxidanyl)phenyl]methylamino]benzoate

Systemtic Name: 2,4-dimethylpentan-3-yl 4-[[2,5-bis(oxidanyl)phenyl]methylamino]benzoate Openeye Name: (1-isopropyl-2-methyl-propyl) 4-[(2,5-dihydroxyphenyl)methylamino]benzoate CAS Name: 4-[(2,5-dihydroxyphenyl)methylamino]benzoic acid 2,4-dimethylpentan-3-yl ester IUPAC Name: 2,4-dimethylpentan-3-yl 4-[(2,5-dihydroxyphenyl)methylamino]benzoate Traditional Name: 4-[(2,5-dihydroxybenzyl)amino]benzoic acid (1-isopropyl-2-methyl-propyl) ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO4/c1-13(2)20(14(3)4)26-21(25)15-5-7-17(8-6-15)22-12-16-11-18(23)9-10-19(16)24/h5-11,13-14,20,22-24H,12H2,1-4H3