(phenylmethyl) 3-[[3-(2-isocyanatoethanoylamino)phenyl]carbonylamino]propanoate

Systemtic Name: (phenylmethyl) 3-[[3-(2-isocyanatoethanoylamino)phenyl]carbonylamino]propanoate Openeye Name: benzyl 3-[[3-[(2-isocyanatoacetyl)amino]benzoyl]amino]propanoate CAS Name: 3-[[[3-[(2-isocyanato-1-oxoethyl)amino]phenyl]-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[3-[(2-isocyanatoacetyl)amino]benzoyl]amino]propanoate Traditional Name: 3-[[3-[(2-isocyanatoacetyl)amino]benzoyl]amino]propionic acid benzyl ester Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCNC(=O)C2=CC(=CC=C2)NC(=O)CN=C=O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCNC(=O)C2=CC(=CC=C2)NC(=O)CN=C=O

InChI

InChI=1S/C20H19N3O5/c24-14-21-12-18(25)23-17-8-4-7-16(11-17)20(27)22-10-9-19(26)28-13-15-5-2-1-3-6-15/h1-8,11H,9-10,12-13H2,(H,22,27)(H,23,25)