diethyl 2-(1-phenylbut-3-ynyl)propanedioate

Systemtic Name: diethyl 2-(1-phenylbut-3-ynyl)propanedioate Openeye Name: diethyl 2-(1-phenylbut-3-ynyl)propanedioate CAS Name: 2-(1-phenylbut-3-ynyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(1-phenylbut-3-ynyl)propanedioate Traditional Name: 2-(1-phenylbut-3-ynyl)malonic acid diethyl ester Formula: C17H20O4 MolecularWeight: 288.3383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20O4/c1-4-10-14(13-11-8-7-9-12-13)15(16(18)20-5-2)17(19)21-6-3/h1,7-9,11-12,14-15H,5-6,10H2,2-3H3