diethyl 2-[(2-hept-1-ynylphenyl)methyl]propanedioate

Systemtic Name: diethyl 2-[(2-hept-1-ynylphenyl)methyl]propanedioate Openeye Name: diethyl 2-[(2-hept-1-ynylphenyl)methyl]propanedioate CAS Name: 2-[(2-hept-1-ynylphenyl)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(2-hept-1-ynylphenyl)methyl]propanedioate Traditional Name: 2-(2-hept-1-ynylbenzyl)malonic acid diethyl ester Formula: C21H28O4 MolecularWeight: 344.44462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC1=CC=CC=C1CC(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCCCC#CC1=CC=CC=C1CC(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C21H28O4/c1-4-7-8-9-10-13-17-14-11-12-15-18(17)16-19(20(22)24-5-2)21(23)25-6-3/h11-12,14-15,19H,4-9,16H2,1-3H3