[(E)-4-[but-2-ynoyl-(phenylmethyl)amino]pent-2-enyl] ethanoate

Systemtic Name: [(E)-4-[but-2-ynoyl-(phenylmethyl)amino]pent-2-enyl] ethanoate Openeye Name: [(E)-4-[benzyl(but-2-ynoyl)amino]pent-2-enyl] acetate CAS Name: acetic acid [(E)-4-[1-oxobut-2-ynyl-(phenylmethyl)amino]pent-2-enyl] ester IUPAC Name: [(E)-4-[benzyl(but-2-ynoyl)amino]pent-2-enyl] acetate Traditional Name: acetic acid [(E)-4-[benzyl(but-2-ynoyl)amino]pent-2-enyl] ester Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)N(CC1=CC=CC=C1)C(C)C=CCOC(=O)C

Isomeric SMILES

CC#CC(=O)N(CC1=CC=CC=C1)C(C)/C=C/COC(=O)C

InChI

InChI=1S/C18H21NO3/c1-4-9-18(21)19(14-17-11-6-5-7-12-17)15(2)10-8-13-22-16(3)20/h5-8,10-12,15H,13-14H2,1-3H3/b10-8+