diethyl 2-(benzamidomethyl)-2-cyano-heptanedioate

Systemtic Name: diethyl 2-(benzamidomethyl)-2-cyano-heptanedioate Openeye Name: diethyl 2-(benzamidomethyl)-2-cyano-heptanedioate CAS Name: 2-(benzamidomethyl)-2-cyanoheptanedioic acid diethyl ester IUPAC Name: diethyl 2-(benzamidomethyl)-2-cyanoheptanedioate Traditional Name: 2-(benzamidomethyl)-2-cyano-pimelic acid diethyl ester Formula: C20H26N2O5 MolecularWeight: 374.43084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC(CNC(=O)C1=CC=CC=C1)(C#N)C(=O)OCC

Isomeric SMILES

CCOC(=O)CCCCC(CNC(=O)C1=CC=CC=C1)(C#N)C(=O)OCC

InChI

InChI=1S/C20H26N2O5/c1-3-26-17(23)12-8-9-13-20(14-21,19(25)27-4-2)15-22-18(24)16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-13,15H2,1-2H3,(H,22,24)