(2-cyanophenyl)methyl (2S)-2-[(3,4,5-trimethoxyphenyl)carbonylamino]propanoate

Systemtic Name: (2-cyanophenyl)methyl (2S)-2-[(3,4,5-trimethoxyphenyl)carbonylamino]propanoate Openeye Name: (2-cyanophenyl)methyl (2S)-2-[(3,4,5-trimethoxybenzoyl)amino]propanoate CAS Name: (2S)-2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]propanoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl (2S)-2-[(3,4,5-trimethoxybenzoyl)amino]propanoate Traditional Name: (2S)-2-[(3,4,5-trimethoxybenzoyl)amino]propionic acid (2-cyanobenzyl) ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1C#N)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

C[C@@H](C(=O)OCC1=CC=CC=C1C#N)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C21H22N2O6/c1-13(21(25)29-12-15-8-6-5-7-14(15)11-22)23-20(24)16-9-17(26-2)19(28-4)18(10-16)27-3/h5-10,13H,12H2,1-4H3,(H,23,24)/t13-/m0/s1