diethyl 2-[3-(2-methanoylcyclohepten-1-yl)prop-2-ynyl]-2-prop-2-ynyl-propanedioate

Systemtic Name: diethyl 2-[3-(2-methanoylcyclohepten-1-yl)prop-2-ynyl]-2-prop-2-ynyl-propanedioate Openeye Name: diethyl 2-[3-(2-formylcyclohepten-1-yl)prop-2-ynyl]-2-prop-2-ynyl-propanedioate CAS Name: 2-[3-(2-formyl-1-cycloheptenyl)prop-2-ynyl]-2-prop-2-ynylpropanedioic acid diethyl ester IUPAC Name: diethyl 2-[3-(2-formylcyclohepten-1-yl)prop-2-ynyl]-2-prop-2-ynylpropanedioate Traditional Name: 2-[3-(2-formylcyclohepten-1-yl)prop-2-ynyl]-2-propargyl-malonic acid diethyl ester Formula: C21H26O5 MolecularWeight: 358.42814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC#C)(CC#CC1=C(CCCCC1)C=O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC#C)(CC#CC1=C(CCCCC1)C=O)C(=O)OCC

InChI

InChI=1S/C21H26O5/c1-4-14-21(19(23)25-5-2,20(24)26-6-3)15-10-13-17-11-8-7-9-12-18(17)16-22/h1,16H,5-9,11-12,14-15H2,2-3H3