ethyl 4-[5-[(Z)-2-cyano-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate

Systemtic Name: ethyl 4-[5-[(Z)-2-cyano-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[(Z)-2-cyano-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxo-prop-1-enyl]-2-furyl]benzoate CAS Name: 4-[5-[(Z)-2-cyano-3-[2-(4-morpholin-4-iumyl)ethylamino]-3-oxoprop-1-enyl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[(Z)-2-cyano-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(Z)-2-cyano-3-keto-3-(2-morpholin-4-ium-4-ylethylamino)prop-1-enyl]-2-furyl]benzoic acid ethyl ester Formula: C23H26N3O5+ MolecularWeight: 424.46964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=O)NCC[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C(/C#N)\C(=O)NCC[NH+]3CCOCC3

InChI

InChI=1S/C23H25N3O5/c1-2-30-23(28)18-5-3-17(4-6-18)21-8-7-20(31-21)15-19(16-24)22(27)25-9-10-26-11-13-29-14-12-26/h3-8,15H,2,9-14H2,1H3,(H,25,27)/p+1/b19-15-