[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxidanylidene-propyl] 2-(1H-indol-3-yl)ethanoate

Systemtic Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxidanylidene-propyl] 2-(1H-indol-3-yl)ethanoate Openeye Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxo-propyl] 2-(1H-indol-3-yl)acetate CAS Name: 2-(1H-indol-3-yl)acetic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester IUPAC Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] 2-(1H-indol-3-yl)acetate Traditional Name: 2-(1H-indol-3-yl)acetic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-keto-propyl] ester Formula: C21H16N4O3 MolecularWeight: 372.37674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(=O)OCC(=O)C(C#N)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(=O)OCC(=O)C(C#N)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H16N4O3/c22-10-15(21-24-17-7-3-4-8-18(17)25-21)19(26)12-28-20(27)9-13-11-23-16-6-2-1-5-14(13)16/h1-8,11,15,23H,9,12H2,(H,24,25)