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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)OCCOC(=O)C(CC2=CC(=C(C=C2)O)O)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)OCCOC(=O)[C@H](CC2=CC(=C(C=C2)O)O)N

InChI

InChI=1S/C21H27NO5/c1-2-3-4-15-5-8-17(9-6-15)26-11-12-27-21(25)18(22)13-16-7-10-19(23)20(24)14-16/h5-10,14,18,23-24H,2-4,11-13,22H2,1H3/t18-/m0/s1