ethyl (2S)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-3,3,3-tris(fluoranyl)-2-[(4-methoxyphenyl)carbonylamino]propanoate

Systemtic Name: ethyl (2S)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-3,3,3-tris(fluoranyl)-2-[(4-methoxyphenyl)carbonylamino]propanoate Openeye Name: ethyl (2S)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-3,3,3-trifluoro-2-[(4-methoxybenzoyl)amino]propanoate CAS Name: (2S)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-3,3,3-trifluoro-2-[[(4-methoxyphenyl)-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-3,3,3-trifluoro-2-[(4-methoxybenzoyl)amino]propanoate Traditional Name: (2S)-3,3,3-trifluoro-2-(homoveratrylamino)-2-(p-anisoylamino)propionic acid ethyl ester Formula: C23H27F3N2O6 MolecularWeight: 484.46549

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(F)(F)F)(NCCC1=CC(=C(C=C1)OC)OC)NC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)[C@](C(F)(F)F)(NCCC1=CC(=C(C=C1)OC)OC)NC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C23H27F3N2O6/c1-5-34-21(30)22(23(24,25)26,28-20(29)16-7-9-17(31-2)10-8-16)27-13-12-15-6-11-18(32-3)19(14-15)33-4/h6-11,14,27H,5,12-13H2,1-4H3,(H,28,29)/t22-/m0/s1