diethyl 3-(2-chloroethyl)-2-cyano-2-(1-phenylethyl)butanedioate

Systemtic Name: diethyl 3-(2-chloroethyl)-2-cyano-2-(1-phenylethyl)butanedioate Openeye Name: diethyl 3-(2-chloroethyl)-2-cyano-2-(1-phenylethyl)butanedioate CAS Name: 3-(2-chloroethyl)-2-cyano-2-(1-phenylethyl)butanedioic acid diethyl ester IUPAC Name: diethyl 3-(2-chloroethyl)-2-cyano-2-(1-phenylethyl)butanedioate Traditional Name: 3-(2-chloroethyl)-2-cyano-2-(1-phenylethyl)succinic acid diethyl ester Formula: C19H24ClNO4 MolecularWeight: 365.85116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCl)C(C#N)(C(C)C1=CC=CC=C1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCCl)C(C#N)(C(C)C1=CC=CC=C1)C(=O)OCC

InChI

InChI=1S/C19H24ClNO4/c1-4-24-17(22)16(11-12-20)19(13-21,18(23)25-5-2)14(3)15-9-7-6-8-10-15/h6-10,14,16H,4-5,11-12H2,1-3H3