methyl 2-[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]indol-1-yl]ethanoate

Systemtic Name: methyl 2-[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]indol-1-yl]ethanoate Openeye Name: methyl 2-[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]indol-1-yl]acetate CAS Name: 2-[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-1-indolyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]indol-1-yl]acetate Traditional Name: 2-[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]indol-1-yl]acetic acid methyl ester Formula: C21H16N4O2 MolecularWeight: 356.37734

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C=C(C2=CC=CC=C21)C=C(C#N)C3=NC4=CC=CC=C4N3

Isomeric SMILES

COC(=O)CN1C=C(C2=CC=CC=C21)/C=C(\C#N)/C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H16N4O2/c1-27-20(26)13-25-12-15(16-6-2-5-9-19(16)25)10-14(11-22)21-23-17-7-3-4-8-18(17)24-21/h2-10,12H,13H2,1H3,(H,23,24)/b14-10+