butyl N-[4-[4-(pentanoylamino)phenyl]iodanuidylphenyl]methanimidate

Systemtic Name: butyl N-[4-[4-(pentanoylamino)phenyl]iodanuidylphenyl]methanimidate Openeye Name: butyl N-[4-[4-(pentanoylamino)phenyl]iodanuidylphenyl]methanimidate CAS Name: N-[4-[4-(1-oxopentylamino)phenyl]iodanuidylphenyl]methanimidic acid butyl ester IUPAC Name: butyl N-[4-[4-(pentanoylamino)phenyl]iodanuidylphenyl]methanimidate Traditional Name: N-[4-[4-(valerylamino)phenyl]iodanuidylphenyl]formimidic acid butyl ester Formula: C22H28IN2O2- MolecularWeight: 479.37439

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=C(C=C1)[I-]C2=CC=C(C=C2)N=COCCCC

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)[I-]C2=CC=C(C=C2)N=COCCCC

InChI

InChI=1S/C22H28IN2O2/c1-3-5-7-22(26)25-21-14-10-19(11-15-21)23-18-8-12-20(13-9-18)24-17-27-16-6-4-2/h8-15,17H,3-7,16H2,1-2H3,(H,25,26)/q-1