(Z)-3-[1H-benzimidazol-2-yl(diethylamino)methyl]-4-oxidanylidene-4-(3-oxidanylidene-3-phenyl-propoxy)but-2-enoic acid

Systemtic Name: (Z)-3-[1H-benzimidazol-2-yl(diethylamino)methyl]-4-oxidanylidene-4-(3-oxidanylidene-3-phenyl-propoxy)but-2-enoic acid Openeye Name: (Z)-3-[1H-benzimidazol-2-yl(diethylamino)methyl]-4-oxo-4-(3-oxo-3-phenyl-propoxy)but-2-enoic acid CAS Name: (Z)-3-[1H-benzimidazol-2-yl(diethylamino)methyl]-4-oxo-4-(3-oxo-3-phenylpropoxy)-2-butenoic acid IUPAC Name: (Z)-3-[1H-benzimidazol-2-yl(diethylamino)methyl]-4-oxo-4-(3-oxo-3-phenylpropoxy)but-2-enoic acid Traditional Name: (Z)-3-[1H-benzimidazol-2-yl(diethylamino)methyl]-4-keto-4-(3-keto-3-phenyl-propoxy)but-2-enoic acid Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(C1=NC2=CC=CC=C2N1)C(=CC(=O)O)C(=O)OCCC(=O)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)C(C1=NC2=CC=CC=C2N1)/C(=C/C(=O)O)/C(=O)OCCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H27N3O5/c1-3-28(4-2)23(24-26-19-12-8-9-13-20(19)27-24)18(16-22(30)31)25(32)33-15-14-21(29)17-10-6-5-7-11-17/h5-13,16,23H,3-4,14-15H2,1-2H3,(H,26,27)(H,30,31)/b18-16-