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

Systemtic Name: [(Z)-9-(3-azanylpropylamino)-1-cyano-1-phenyl-non-4-en-2,6-diynyl] ethanoate Openeye Name: [(Z)-9-(3-aminopropylamino)-1-cyano-1-phenyl-non-4-en-2,6-diynyl] acetate CAS Name: acetic acid [(Z)-9-(3-aminopropylamino)-1-cyano-1-phenylnon-4-en-2,6-diynyl] ester IUPAC Name: [(Z)-9-(3-aminopropylamino)-1-cyano-1-phenylnon-4-en-2,6-diynyl] acetate Traditional Name: acetic acid [(Z)-9-(3-aminopropylamino)-1-cyano-1-phenyl-non-4-en-2,6-diynyl] ester Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2/c1-19(25)26-21(18-23,20-12-7-6-8-13-20)14-9-4-2-3-5-10-16-24-17-11-15-22/h2,4,6-8,12-13,24H,10-11,15-17,22H2,1H3/b4-2-