3-[3-[4-(1H-indol-3-yl)-5-methyl-2-oxidanylidene-1H-imidazol-3-yl]indol-1-yl]propyl propanoate

Systemtic Name: 3-[3-[4-(1H-indol-3-yl)-5-methyl-2-oxidanylidene-1H-imidazol-3-yl]indol-1-yl]propyl propanoate Openeye Name: 3-[3-[4-(1H-indol-3-yl)-5-methyl-2-oxo-1H-imidazol-3-yl]indol-1-yl]propyl propanoate CAS Name: propanoic acid 3-[3-[4-(1H-indol-3-yl)-5-methyl-2-oxo-1H-imidazol-3-yl]-1-indolyl]propyl ester IUPAC Name: 3-[3-[4-(1H-indol-3-yl)-5-methyl-2-oxo-1H-imidazol-3-yl]indol-1-yl]propyl propanoate Traditional Name: propionic acid 3-[3-[5-(1H-indol-3-yl)-2-keto-4-methyl-4-imidazolin-1-yl]indol-1-yl]propyl ester Formula: C26H26N4O3 MolecularWeight: 442.50964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCCCN1C=C(C2=CC=CC=C21)N3C(=C(NC3=O)C)C4=CNC5=CC=CC=C54

Isomeric SMILES

CCC(=O)OCCCN1C=C(C2=CC=CC=C21)N3C(=C(NC3=O)C)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C26H26N4O3/c1-3-24(31)33-14-8-13-29-16-23(19-10-5-7-12-22(19)29)30-25(17(2)28-26(30)32)20-15-27-21-11-6-4-9-18(20)21/h4-7,9-12,15-16,27H,3,8,13-14H2,1-2H3,(H,28,32)