diethyl 3-cyano-3-(1-methylbenzimidazol-2-yl)pentanedioate

Systemtic Name: diethyl 3-cyano-3-(1-methylbenzimidazol-2-yl)pentanedioate Openeye Name: diethyl 3-cyano-3-(1-methylbenzimidazol-2-yl)pentanedioate CAS Name: 3-cyano-3-(1-methyl-2-benzimidazolyl)pentanedioic acid diethyl ester IUPAC Name: diethyl 3-cyano-3-(1-methylbenzimidazol-2-yl)pentanedioate Traditional Name: 3-cyano-3-(1-methylbenzimidazol-2-yl)glutaric acid diethyl ester Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CC(=O)OCC)(C#N)C1=NC2=CC=CC=C2N1C

Isomeric SMILES

CCOC(=O)CC(CC(=O)OCC)(C#N)C1=NC2=CC=CC=C2N1C

InChI

InChI=1S/C18H21N3O4/c1-4-24-15(22)10-18(12-19,11-16(23)25-5-2)17-20-13-8-6-7-9-14(13)21(17)3/h6-9H,4-5,10-11H2,1-3H3