3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 4-cyanobenzoate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 4-cyanobenzoate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C18H15N3O3 MolecularWeight: 321.33

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)N2CCCOC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)N2CCCOC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H15N3O3/c19-12-13-6-8-14(9-7-13)17(22)24-11-3-10-21-16-5-2-1-4-15(16)20-18(21)23/h1-2,4-9H,3,10-11H2,(H,20,23)