N-(phenylmethyl)-3-[2-[phenyl(phenylmethoxycarbonyl)amino]ethanoylamino]propanenitrilium

Systemtic Name: N-(phenylmethyl)-3-[2-[phenyl(phenylmethoxycarbonyl)amino]ethanoylamino]propanenitrilium Openeye Name: N-benzyl-3-[[2-(N-benzyloxycarbonylanilino)acetyl]amino]propanenitrilium CAS Name: 3-[[1-oxo-2-(N-phenylmethoxycarbonylanilino)ethyl]amino]-N-(phenylmethyl)propanenitrilium IUPAC Name: N-benzyl-3-[[2-(N-phenylmethoxycarbonylanilino)acetyl]amino]propanenitrilium Traditional Name: N-benzyl-3-[[2-(N-carbobenzoxyanilino)acetyl]amino]propiononitrilium Formula: C26H26N3O3+ MolecularWeight: 428.50294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]#CCCNC(=O)CN(C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C[N+]#CCCNC(=O)CN(C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H25N3O3/c30-25(28-18-10-17-27-19-22-11-4-1-5-12-22)20-29(24-15-8-3-9-16-24)26(31)32-21-23-13-6-2-7-14-23/h1-9,11-16H,10,18-21H2/p+1