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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C=C3C4=CC=CC=C4N(C3=O)C

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)/C=C/3\C4=CC=CC=C4N(C3=O)C

InChI

InChI=1S/C25H25N3O3/c1-3-4-9-23-26-15-19(28(23)16-17-10-12-18(13-11-17)25(30)31)14-21-20-7-5-6-8-22(20)27(2)24(21)29/h5-8,10-15H,3-4,9,16H2,1-2H3,(H,30,31)/b21-14+