2,2-dimethylpropanoyloxymethyl 4-[[1-[3-(hydroxymethyl)-4-oxidanyl-phenyl]-1-oxidanyl-pentan-2-yl]amino]benzoate

Systemtic Name: 2,2-dimethylpropanoyloxymethyl 4-[[1-[3-(hydroxymethyl)-4-oxidanyl-phenyl]-1-oxidanyl-pentan-2-yl]amino]benzoate Openeye Name: 2,2-dimethylpropanoyloxymethyl 4-[1-[hydroxy-[4-hydroxy-3-(hydroxymethyl)phenyl]methyl]butylamino]benzoate CAS Name: 4-[[1-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]pentan-2-yl]amino]benzoic acid (2,2-dimethyl-1-oxopropoxy)methyl ester IUPAC Name: 2,2-dimethylpropanoyloxymethyl 4-[[1-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]pentan-2-yl]amino]benzoate Traditional Name: 4-[1-[hydroxy-(4-hydroxy-3-methylol-phenyl)methyl]butylamino]benzoic acid pivaloyloxymethyl ester Formula: C25H33NO7 MolecularWeight: 459.53202

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C1=CC(=C(C=C1)O)CO)O)NC2=CC=C(C=C2)C(=O)OCOC(=O)C(C)(C)C

Isomeric SMILES

CCCC(C(C1=CC(=C(C=C1)O)CO)O)NC2=CC=C(C=C2)C(=O)OCOC(=O)C(C)(C)C

InChI

InChI=1S/C25H33NO7/c1-5-6-20(22(29)17-9-12-21(28)18(13-17)14-27)26-19-10-7-16(8-11-19)23(30)32-15-33-24(31)25(2,3)4/h7-13,20,22,26-29H,5-6,14-15H2,1-4H3