[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxidanylidene-propyl] 3-(2-methoxyphenyl)propanoate

Systemtic Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxidanylidene-propyl] 3-(2-methoxyphenyl)propanoate Openeye Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxo-propyl] 3-(2-methoxyphenyl)propanoate CAS Name: 3-(2-methoxyphenyl)propanoic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester IUPAC Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] 3-(2-methoxyphenyl)propanoate Traditional Name: 3-(2-methoxyphenyl)propionic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-keto-propyl] ester Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCC(=O)OCC(=O)C(C#N)C2=NC3=CC=CC=C3N2

Isomeric SMILES

COC1=CC=CC=C1CCC(=O)OCC(=O)C(C#N)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C21H19N3O4/c1-27-19-9-5-2-6-14(19)10-11-20(26)28-13-18(25)15(12-22)21-23-16-7-3-4-8-17(16)24-21/h2-9,15H,10-11,13H2,1H3,(H,23,24)