O1-acetamido O3-ethyl 2-[(4-cyanophenyl)methyl]-2-ethyl-propanedioate

Systemtic Name: O1-acetamido O3-ethyl 2-[(4-cyanophenyl)methyl]-2-ethyl-propanedioate Openeye Name: O1-acetamido O3-ethyl 2-[(4-cyanophenyl)methyl]-2-ethyl-propanedioate CAS Name: 2-[(4-cyanophenyl)methyl]-2-ethylpropanedioic acid O1-acetamido ester O3-ethyl ester IUPAC Name: 1-O-acetamido 3-O-ethyl 2-[(4-cyanophenyl)methyl]-2-ethylpropanedioate Traditional Name: 2-(4-cyanobenzyl)-2-ethyl-malonic acid O1-acetamido ester O3-ethyl ester Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=C(C=C1)C#N)(C(=O)OCC)C(=O)ONC(=O)C

Isomeric SMILES

CCC(CC1=CC=C(C=C1)C#N)(C(=O)OCC)C(=O)ONC(=O)C

InChI

InChI=1S/C17H20N2O5/c1-4-17(15(21)23-5-2,16(22)24-19-12(3)20)10-13-6-8-14(11-18)9-7-13/h6-9H,4-5,10H2,1-3H3,(H,19,20)