diethyl 2-(7-cyano-1-phenyl-heptyl)propanedioate

Systemtic Name: diethyl 2-(7-cyano-1-phenyl-heptyl)propanedioate Openeye Name: diethyl 2-(7-cyano-1-phenyl-heptyl)propanedioate CAS Name: 2-(7-cyano-1-phenylheptyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(7-cyano-1-phenylheptyl)propanedioate Traditional Name: 2-(7-cyano-1-phenyl-heptyl)malonic acid diethyl ester Formula: C21H29NO4 MolecularWeight: 359.45926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO4/c1-3-25-20(23)19(21(24)26-4-2)18(17-13-9-8-10-14-17)15-11-6-5-7-12-16-22/h8-10,13-14,18-19H,3-7,11-12,15H2,1-2H3