4-[[2-butyl-5-[(E)-(7-methoxy-2-oxidanylidene-1H-indol-3-ylidene)methyl]imidazol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[2-butyl-5-[(E)-(7-methoxy-2-oxidanylidene-1H-indol-3-ylidene)methyl]imidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[2-butyl-5-[(E)-(7-methoxy-2-oxo-indolin-3-ylidene)methyl]imidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[2-butyl-5-[(E)-(7-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-1-imidazolyl]methyl]benzoic acid IUPAC Name: 4-[[2-butyl-5-[(E)-(7-methoxy-2-oxo-1H-indol-3-ylidene)methyl]imidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[2-butyl-5-[(E)-(2-keto-7-methoxy-indolin-3-ylidene)methyl]imidazol-1-yl]methyl]benzoic acid Formula: C25H25N3O4 MolecularWeight: 431.4837

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=C(C(=CC=C4)OC)NC3=O

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O4/c1-3-4-8-22-26-14-18(28(22)15-16-9-11-17(12-10-16)25(30)31)13-20-19-6-5-7-21(32-2)23(19)27-24(20)29/h5-7,9-14H,3-4,8,15H2,1-2H3,(H,27,29)(H,30,31)/b20-13+