[(Z)-9-[3-(4-azanylbutylamino)propylamino]-1-cyano-1-phenyl-non-4-en-2,6-diynyl] ethanoate

Systemtic Name: [(Z)-9-[3-(4-azanylbutylamino)propylamino]-1-cyano-1-phenyl-non-4-en-2,6-diynyl] ethanoate Openeye Name: [(Z)-9-[3-(4-aminobutylamino)propylamino]-1-cyano-1-phenyl-non-4-en-2,6-diynyl] acetate CAS Name: acetic acid [(Z)-9-[3-(4-aminobutylamino)propylamino]-1-cyano-1-phenylnon-4-en-2,6-diynyl] ester IUPAC Name: [(Z)-9-[3-(4-aminobutylamino)propylamino]-1-cyano-1-phenylnon-4-en-2,6-diynyl] acetate Traditional Name: acetic acid [(Z)-9-[3-(4-aminobutylamino)propylamino]-1-cyano-1-phenyl-non-4-en-2,6-diynyl] ester Formula: C25H32N4O2 MolecularWeight: 420.54718

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C#CC=CC#CCCNCCCNCCCCN)(C#N)C1=CC=CC=C1

Isomeric SMILES

CC(=O)OC(C#C/C=C\C#CCCNCCCNCCCCN)(C#N)C1=CC=CC=C1

InChI

InChI=1S/C25H32N4O2/c1-23(30)31-25(22-27,24-14-7-6-8-15-24)16-9-4-2-3-5-11-18-28-20-13-21-29-19-12-10-17-26/h2,4,6-8,14-15,28-29H,10-13,17-21,26H2,1H3/b4-2-