(phenylmethyl) 3-[[3-[(3-cyanophenyl)carbonylamino]phenyl]carbonylamino]propanoate

Systemtic Name: (phenylmethyl) 3-[[3-[(3-cyanophenyl)carbonylamino]phenyl]carbonylamino]propanoate Openeye Name: benzyl 3-[[3-[(3-cyanobenzoyl)amino]benzoyl]amino]propanoate CAS Name: 3-[[[3-[[(3-cyanophenyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[3-[(3-cyanobenzoyl)amino]benzoyl]amino]propanoate Traditional Name: 3-[[3-[(3-cyanobenzoyl)amino]benzoyl]amino]propionic acid benzyl ester Formula: C25H21N3O4 MolecularWeight: 427.45194

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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)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C25H21N3O4/c26-16-19-8-4-9-20(14-19)25(31)28-22-11-5-10-21(15-22)24(30)27-13-12-23(29)32-17-18-6-2-1-3-7-18/h1-11,14-15H,12-13,17H2,(H,27,30)(H,28,31)