(Z)-2-[butyl(methylidene)azaniumyl]-1-ethoxy-3-oxidanylidene-3-[(phenylmethyl)-prop-2-ynyl-amino]prop-1-en-1-olate

Systemtic Name: (Z)-2-[butyl(methylidene)azaniumyl]-1-ethoxy-3-oxidanylidene-3-[(phenylmethyl)-prop-2-ynyl-amino]prop-1-en-1-olate Openeye Name: (Z)-3-[benzyl(prop-2-ynyl)amino]-2-[butyl(methylene)ammonio]-1-ethoxy-3-oxo-prop-1-en-1-olate CAS Name: (Z)-2-[butyl(methylene)ammonio]-1-ethoxy-3-oxo-3-[(phenylmethyl)-prop-2-ynylamino]-1-propen-1-olate IUPAC Name: (Z)-3-[benzyl(prop-2-ynyl)amino]-2-[butyl(methylidene)azaniumyl]-1-ethoxy-3-oxoprop-1-en-1-olate Traditional Name: (Z)-3-[benzyl(propargyl)amino]-2-[butyl(methylene)ammonio]-1-ethoxy-3-keto-prop-1-en-1-olate Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](=C)C(=C([O-])OCC)C(=O)N(CC#C)CC1=CC=CC=C1

Isomeric SMILES

CCCC[N+](=C)/C(=C(/[O-])\OCC)/C(=O)N(CC#C)CC1=CC=CC=C1

InChI

InChI=1S/C20H26N2O3/c1-5-8-15-21(4)18(20(24)25-7-3)19(23)22(14-6-2)16-17-12-10-9-11-13-17/h2,9-13H,4-5,7-8,14-16H2,1,3H3