[1-(4-hydroxyphenyl)-1-oxidanyl-propan-2-yl] 4-azanyl-2-(2,5-dimethylphenoxy)butanoate

Systemtic Name: [1-(4-hydroxyphenyl)-1-oxidanyl-propan-2-yl] 4-azanyl-2-(2,5-dimethylphenoxy)butanoate Openeye Name: [2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl] 4-amino-2-(2,5-dimethylphenoxy)butanoate CAS Name: 4-amino-2-(2,5-dimethylphenoxy)butanoic acid [1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl] ester IUPAC Name: [1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl] 4-amino-2-(2,5-dimethylphenoxy)butanoate Traditional Name: 4-amino-2-(2,5-dimethylphenoxy)butyric acid [2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl] ester Formula: C21H27NO5 MolecularWeight: 373.44278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OC(CCN)C(=O)OC(C)C(C2=CC=C(C=C2)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC(CCN)C(=O)OC(C)C(C2=CC=C(C=C2)O)O

InChI

InChI=1S/C21H27NO5/c1-13-4-5-14(2)19(12-13)27-18(10-11-22)21(25)26-15(3)20(24)16-6-8-17(23)9-7-16/h4-9,12,15,18,20,23-24H,10-11,22H2,1-3H3