methyl 4-acetamido-3-[2-(phenylmethoxycarbonylamino)ethanoylamino]benzoate

Systemtic Name: methyl 4-acetamido-3-[2-(phenylmethoxycarbonylamino)ethanoylamino]benzoate Openeye Name: methyl 4-acetamido-3-[[2-(benzyloxycarbonylamino)acetyl]amino]benzoate CAS Name: 4-acetamido-3-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-acetamido-3-[[2-(phenylmethoxycarbonylamino)acetyl]amino]benzoate Traditional Name: 4-acetamido-3-[[2-(benzyloxycarbonylamino)acetyl]amino]benzoic acid methyl ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)C(=O)OC)NC(=O)CNC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)C(=O)OC)NC(=O)CNC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H21N3O6/c1-13(24)22-16-9-8-15(19(26)28-2)10-17(16)23-18(25)11-21-20(27)29-12-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,21,27)(H,22,24)(H,23,25)