[(5E)-2-acetamido-5-[[1-(phenylmethyl)indol-3-yl]methylidene]imidazol-4-yl] ethanoate

Systemtic Name: [(5E)-2-acetamido-5-[[1-(phenylmethyl)indol-3-yl]methylidene]imidazol-4-yl] ethanoate Openeye Name: [(5E)-2-acetamido-5-[(1-benzylindol-3-yl)methylene]imidazol-4-yl] acetate CAS Name: acetic acid [(5E)-2-acetamido-5-[[1-(phenylmethyl)-3-indolyl]methylidene]-4-imidazolyl] ester IUPAC Name: [(5E)-2-acetamido-5-[(1-benzylindol-3-yl)methylidene]imidazol-4-yl] acetate Traditional Name: acetic acid [(5E)-2-acetamido-5-[(1-benzylindol-3-yl)methylene]imidazol-4-yl] ester Formula: C23H20N4O3 MolecularWeight: 400.4299

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)C(=N1)OC(=O)C

Isomeric SMILES

CC(=O)NC1=N/C(=C/C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)/C(=N1)OC(=O)C

InChI

InChI=1S/C23H20N4O3/c1-15(28)24-23-25-20(22(26-23)30-16(2)29)12-18-14-27(13-17-8-4-3-5-9-17)21-11-7-6-10-19(18)21/h3-12,14H,13H2,1-2H3,(H,24,25,28)/b20-12+