(2R)-3-(1-benzofuran-2-ylcarbonyl)-2-(4-chlorophenyl)-1-[3-(diethylazaniumyl)propyl]-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: (2R)-3-(1-benzofuran-2-ylcarbonyl)-2-(4-chlorophenyl)-1-[3-(diethylazaniumyl)propyl]-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2R)-3-(benzofuran-2-carbonyl)-2-(4-chlorophenyl)-1-[3-(diethylammonio)propyl]-5-oxo-2H-pyrrol-4-olate CAS Name: (2R)-3-[2-benzofuranyl(oxo)methyl]-2-(4-chlorophenyl)-1-[3-(diethylammonio)propyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2R)-3-(1-benzofuran-2-carbonyl)-2-(4-chlorophenyl)-1-[3-(diethylazaniumyl)propyl]-5-oxo-2H-pyrrol-4-olate Traditional Name: (5R)-4-(benzofuran-2-carbonyl)-5-(4-chlorophenyl)-1-[3-(diethylammonio)propyl]-2-keto-3-pyrrolin-3-olate Formula: C26H27ClN2O4 MolecularWeight: 466.95658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(C(=C(C1=O)[O-])C(=O)C2=CC3=CC=CC=C3O2)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC[NH+](CC)CCCN1[C@@H](C(=C(C1=O)[O-])C(=O)C2=CC3=CC=CC=C3O2)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H27ClN2O4/c1-3-28(4-2)14-7-15-29-23(17-10-12-19(27)13-11-17)22(25(31)26(29)32)24(30)21-16-18-8-5-6-9-20(18)33-21/h5-6,8-13,16,23,31H,3-4,7,14-15H2,1-2H3/t23-/m1/s1