[(3E)-3-[[2-(N'-pentylcarbamimidoyl)hydrazinyl]methylidene]indol-5-yl] hexanoate

Systemtic Name: [(3E)-3-[[2-(N'-pentylcarbamimidoyl)hydrazinyl]methylidene]indol-5-yl] hexanoate Openeye Name: [(3E)-3-[[2-(N'-pentylcarbamimidoyl)hydrazino]methylene]indol-5-yl] hexanoate CAS Name: hexanoic acid [(3E)-3-[[[amino(pentylimino)methyl]hydrazo]methylidene]-5-indolyl] ester IUPAC Name: [(3E)-3-[[2-(N'-pentylcarbamimidoyl)hydrazinyl]methylidene]indol-5-yl] hexanoate Traditional Name: hexanoic acid [(3E)-3-[[N'-(N'-amylamidino)hydrazino]methylene]indol-5-yl] ester Formula: C21H31N5O2 MolecularWeight: 385.50314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=CC2=C(C=C1)N=CC2=CNNC(=NCCCCC)N

Isomeric SMILES

CCCCCC(=O)OC1=CC\2=C(C=C1)N=C/C2=C/NNC(=NCCCCC)N

InChI

InChI=1S/C21H31N5O2/c1-3-5-7-9-20(27)28-17-10-11-19-18(13-17)16(14-24-19)15-25-26-21(22)23-12-8-6-4-2/h10-11,13-15,25H,3-9,12H2,1-2H3,(H3,22,23,26)/b16-15-