dimethyl 3-(cyanomethyl)hexanedioate

Systemtic Name: dimethyl 3-(cyanomethyl)hexanedioate Openeye Name: dimethyl 3-(cyanomethyl)hexanedioate CAS Name: 3-(cyanomethyl)hexanedioic acid dimethyl ester IUPAC Name: dimethyl 3-(cyanomethyl)hexanedioate Traditional Name: 3-(cyanomethyl)adipic acid dimethyl ester Formula: C10H15NO4 MolecularWeight: 213.2304

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(CC#N)CC(=O)OC

Isomeric SMILES

COC(=O)CCC(CC#N)CC(=O)OC

InChI

InChI=1S/C10H15NO4/c1-14-9(12)4-3-8(5-6-11)7-10(13)15-2/h8H,3-5,7H2,1-2H3