4-[[2-butyl-5-[(E)-(5-methyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]imidazol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[2-butyl-5-[(E)-(5-methyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]imidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[2-butyl-5-[(E)-(5-methyl-2-oxo-indolin-3-ylidene)methyl]imidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[2-butyl-5-[(E)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1-imidazolyl]methyl]benzoic acid IUPAC Name: 4-[[2-butyl-5-[(E)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]imidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[2-butyl-5-[(E)-(2-keto-5-methyl-indolin-3-ylidene)methyl]imidazol-1-yl]methyl]benzoic acid Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C=C3C4=C(C=CC(=C4)C)NC3=O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)/C=C/3\C4=C(C=CC(=C4)C)NC3=O

InChI

InChI=1S/C25H25N3O3/c1-3-4-5-23-26-14-19(28(23)15-17-7-9-18(10-8-17)25(30)31)13-21-20-12-16(2)6-11-22(20)27-24(21)29/h6-14H,3-5,15H2,1-2H3,(H,27,29)(H,30,31)/b21-13+