diethyl 2-phenethyl-2-prop-2-ynyl-propanedioate

Systemtic Name: diethyl 2-phenethyl-2-prop-2-ynyl-propanedioate Openeye Name: diethyl 2-phenethyl-2-prop-2-ynyl-propanedioate CAS Name: 2-phenethyl-2-prop-2-ynylpropanedioic acid diethyl ester IUPAC Name: diethyl 2-phenethyl-2-prop-2-ynylpropanedioate Traditional Name: 2-phenethyl-2-propargyl-malonic acid diethyl ester Formula: C18H22O4 MolecularWeight: 302.36488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)(CC#C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)(CC#C)C(=O)OCC

InChI

InChI=1S/C18H22O4/c1-4-13-18(16(19)21-5-2,17(20)22-6-3)14-12-15-10-8-7-9-11-15/h1,7-11H,5-6,12-14H2,2-3H3