3-[but-3-enyl-(phenylmethyl)amino]-4-butyl-cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[but-3-enyl-(phenylmethyl)amino]-4-butyl-cyclobut-3-ene-1,2-dione Openeye Name: 3-[benzyl(but-3-enyl)amino]-4-butyl-cyclobut-3-ene-1,2-dione CAS Name: 3-[but-3-enyl-(phenylmethyl)amino]-4-butylcyclobut-3-ene-1,2-dione IUPAC Name: 3-[benzyl(but-3-enyl)amino]-4-butylcyclobut-3-ene-1,2-dione Traditional Name: 3-[benzyl(but-3-enyl)amino]-4-butyl-cyclobut-3-ene-1,2-quinone Formula: C19H23NO2 MolecularWeight: 297.39142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)C1=O)N(CCC=C)CC2=CC=CC=C2

Isomeric SMILES

CCCCC1=C(C(=O)C1=O)N(CCC=C)CC2=CC=CC=C2

InChI

InChI=1S/C19H23NO2/c1-3-5-12-16-17(19(22)18(16)21)20(13-6-4-2)14-15-10-8-7-9-11-15/h4,7-11H,2-3,5-6,12-14H2,1H3