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

Systemtic Name: [(3E)-3-[[2-(N'-pentylcarbamimidoyl)hydrazinyl]methylidene]indol-5-yl] benzoate Openeye Name: [(3E)-3-[[2-(N'-pentylcarbamimidoyl)hydrazino]methylene]indol-5-yl] benzoate CAS Name: benzoic acid [(3E)-3-[[[amino(pentylimino)methyl]hydrazo]methylidene]-5-indolyl] ester IUPAC Name: [(3E)-3-[[2-(N'-pentylcarbamimidoyl)hydrazinyl]methylidene]indol-5-yl] benzoate Traditional Name: benzoic acid [(3E)-3-[[N'-(N'-amylamidino)hydrazino]methylene]indol-5-yl] ester Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN=C(N)NNC=C1C=NC2=C1C=C(C=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCN=C(N)NN/C=C\1/C=NC2=C1C=C(C=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H25N5O2/c1-2-3-7-12-24-22(23)27-26-15-17-14-25-20-11-10-18(13-19(17)20)29-21(28)16-8-5-4-6-9-16/h4-6,8-11,13-15,26H,2-3,7,12H2,1H3,(H3,23,24,27)/b17-15-