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

Systemtic Name: methyl 4-[[2-butyl-5-[(E)-(4-methyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]imidazol-1-yl]methyl]benzoate Openeye Name: methyl 4-[[2-butyl-5-[(E)-(4-methyl-2-oxo-indolin-3-ylidene)methyl]imidazol-1-yl]methyl]benzoate CAS Name: 4-[[2-butyl-5-[(E)-(4-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1-imidazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-butyl-5-[(E)-(4-methyl-2-oxo-1H-indol-3-ylidene)methyl]imidazol-1-yl]methyl]benzoate Traditional Name: 4-[[2-butyl-5-[(E)-(2-keto-4-methyl-indolin-3-ylidene)methyl]imidazol-1-yl]methyl]benzoic acid methyl ester Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)OC)C=C3C4=C(C=CC=C4NC3=O)C

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)OC)/C=C/3\C4=C(C=CC=C4NC3=O)C

InChI

InChI=1S/C26H27N3O3/c1-4-5-9-23-27-15-20(14-21-24-17(2)7-6-8-22(24)28-25(21)30)29(23)16-18-10-12-19(13-11-18)26(31)32-3/h6-8,10-15H,4-5,9,16H2,1-3H3,(H,28,30)/b21-14+