2,4-bis[2-(2-oxidanylidene-2-pentoxy-ethyl)-2-(2-pentoxyethynyl)-1,3-dihydroperimidin-4-yl]cyclobutane-1,3-diolate

Systemtic Name: 2,4-bis[2-(2-oxidanylidene-2-pentoxy-ethyl)-2-(2-pentoxyethynyl)-1,3-dihydroperimidin-4-yl]cyclobutane-1,3-diolate Openeye Name: 2,4-bis[2-(2-oxo-2-pentoxy-ethyl)-2-(2-pentoxyethynyl)-1,3-dihydroperimidin-4-yl]cyclobutane-1,3-diolate CAS Name: 2,4-bis[2-(2-oxo-2-pentoxyethyl)-2-(2-pentoxyethynyl)-1,3-dihydroperimidin-4-yl]cyclobutane-1,3-diolate IUPAC Name: 2,4-bis[2-(2-oxo-2-pentoxyethyl)-2-(2-pentoxyethynyl)-1,3-dihydroperimidin-4-yl]cyclobutane-1,3-diolate Traditional Name: 2,4-bis[2-(2-amoxyethynyl)-2-(2-amoxy-2-keto-ethyl)-1,3-dihydroperimidin-4-yl]cyclobutane-1,3-diolate Formula: C54H66N4O8-2 MolecularWeight: 899.12384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC#CC1(NC2=CC=CC3=C2C(=C(C=C3)C4C(C(C4[O-])C5=C6C7=C(C=CC=C7NC(N6)(CC(=O)OCCCCC)C#COCCCCC)C=C5)[O-])N1)CC(=O)OCCCCC

Isomeric SMILES

CCCCCOC#CC1(NC2=CC=CC3=C2C(=C(C=C3)C4C(C(C4[O-])C5=C6C7=C(C=CC=C7NC(N6)(CC(=O)OCCCCC)C#COCCCCC)C=C5)[O-])N1)CC(=O)OCCCCC

InChI

InChI=1S/C54H66N4O8/c1-5-9-13-29-63-33-27-53(35-43(59)65-31-15-11-7-3)55-41-21-17-19-37-23-25-39(49(57-53)45(37)41)47-51(61)48(52(47)62)40-26-24-38-20-18-22-42-46(38)50(40)58-54(56-42,28-34-64-30-14-10-6-2)36-44(60)66-32-16-12-8-4/h17-26,47-48,51-52,55-58H,5-16,29-32,35-36H2,1-4H3/q-2