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

Systemtic Name: methyl 4-[[2-butyl-5-[(E)-(7-methoxy-2-oxidanylidene-1H-indol-3-ylidene)methyl]imidazol-1-yl]methyl]benzoate Openeye Name: methyl 4-[[2-butyl-5-[(E)-(7-methoxy-2-oxo-indolin-3-ylidene)methyl]imidazol-1-yl]methyl]benzoate CAS Name: 4-[[2-butyl-5-[(E)-(7-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-1-imidazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-butyl-5-[(E)-(7-methoxy-2-oxo-1H-indol-3-ylidene)methyl]imidazol-1-yl]methyl]benzoate Traditional Name: 4-[[2-butyl-5-[(E)-(2-keto-7-methoxy-indolin-3-ylidene)methyl]imidazol-1-yl]methyl]benzoic acid methyl ester Formula: C26H27N3O4 MolecularWeight: 445.51028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O4/c1-4-5-9-23-27-15-19(29(23)16-17-10-12-18(13-11-17)26(31)33-3)14-21-20-7-6-8-22(32-2)24(20)28-25(21)30/h6-8,10-15H,4-5,9,16H2,1-3H3,(H,28,30)/b21-14+