ethyl (2S,3S)-2-acetamido-3-acetyloxy-3-[3-[bis(2-hydroxyethyl)amino]phenyl]propanoate

Systemtic Name: ethyl (2S,3S)-2-acetamido-3-acetyloxy-3-[3-[bis(2-hydroxyethyl)amino]phenyl]propanoate Openeye Name: ethyl (2S,3S)-2-acetamido-3-acetoxy-3-[3-[bis(2-hydroxyethyl)amino]phenyl]propanoate CAS Name: (2S,3S)-2-acetamido-3-acetyloxy-3-[3-[bis(2-hydroxyethyl)amino]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl (2S,3S)-2-acetamido-3-acetyloxy-3-[3-[bis(2-hydroxyethyl)amino]phenyl]propanoate Traditional Name: (2S,3S)-2-acetamido-3-acetoxy-3-[3-[bis(2-hydroxyethyl)amino]phenyl]propionic acid ethyl ester Formula: C19H28N2O7 MolecularWeight: 396.43482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC(=CC=C1)N(CCO)CCO)OC(=O)C)NC(=O)C

Isomeric SMILES

CCOC(=O)[C@H]([C@H](C1=CC(=CC=C1)N(CCO)CCO)OC(=O)C)NC(=O)C

InChI

InChI=1S/C19H28N2O7/c1-4-27-19(26)17(20-13(2)24)18(28-14(3)25)15-6-5-7-16(12-15)21(8-10-22)9-11-23/h5-7,12,17-18,22-23H,4,8-11H2,1-3H3,(H,20,24)/t17-,18-/m0/s1