2-(4-tert-butylphenoxy)ethyl (2S)-2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoate

Systemtic Name: 2-(4-tert-butylphenoxy)ethyl (2S)-2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoate Openeye Name: 2-(4-tert-butylphenoxy)ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate CAS Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid 2-(4-tert-butylphenoxy)ethyl ester IUPAC Name: 2-(4-tert-butylphenoxy)ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate Traditional Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)propionic acid 2-(4-tert-butylphenoxy)ethyl ester Formula: C21H27NO5 MolecularWeight: 373.44278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCOC(=O)C(CC2=CC(=C(C=C2)O)O)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCOC(=O)[C@H](CC2=CC(=C(C=C2)O)O)N

InChI

InChI=1S/C21H27NO5/c1-21(2,3)15-5-7-16(8-6-15)26-10-11-27-20(25)17(22)12-14-4-9-18(23)19(24)13-14/h4-9,13,17,23-24H,10-12,22H2,1-3H3/t17-/m0/s1