(2-oxidanylidene-2-tetradecoxy-ethyl) 2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoate hydrochloride

Systemtic Name: (2-oxidanylidene-2-tetradecoxy-ethyl) 2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoate hydrochloride Openeye Name: (2-oxo-2-tetradecoxy-ethyl) 2-amino-3-(3,4-dihydroxyphenyl)propanoate hydrochloride CAS Name: 2-amino-3-(3,4-dihydroxyphenyl)propanoic acid (2-oxo-2-tetradecoxyethyl) ester hydrochloride IUPAC Name: (2-oxo-2-tetradecoxyethyl) 2-amino-3-(3,4-dihydroxyphenyl)propanoate hydrochloride Traditional Name: 2-amino-3-(3,4-dihydroxyphenyl)propionic acid (2-keto-2-myristyloxy-ethyl) ester hydrochloride Formula: C25H42ClNO6 MolecularWeight: 488.05708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC(=O)COC(=O)C(CC1=CC(=C(C=C1)O)O)N.Cl

Isomeric SMILES

CCCCCCCCCCCCCCOC(=O)COC(=O)C(CC1=CC(=C(C=C1)O)O)N.Cl

InChI

InChI=1S/C25H41NO6.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-31-24(29)19-32-25(30)21(26)17-20-14-15-22(27)23(28)18-20;/h14-15,18,21,27-28H,2-13,16-17,19,26H2,1H3;1H