O1-(2-cyanoethyl) O3-(phenylmethyl) 2,2-diethylpropanedioate

Systemtic Name: O1-(2-cyanoethyl) O3-(phenylmethyl) 2,2-diethylpropanedioate Openeye Name: O1-benzyl O3-(2-cyanoethyl) 2,2-diethylpropanedioate CAS Name: 2,2-diethylpropanedioic acid O1-(2-cyanoethyl) ester O3-(phenylmethyl) ester IUPAC Name: 3-O-benzyl 1-O-(2-cyanoethyl) 2,2-diethylpropanedioate Traditional Name: 2,2-diethylmalonic acid O1-benzyl ester O3-(2-cyanoethyl) ester Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)OCCC#N)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCC(CC)(C(=O)OCCC#N)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C17H21NO4/c1-3-17(4-2,15(19)21-12-8-11-18)16(20)22-13-14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,12-13H2,1-2H3