[2-ethoxycarbonyl-1-ethynyl-2-(3-oxidanylidenebutyl)cyclopentyl] benzoate

Systemtic Name: [2-ethoxycarbonyl-1-ethynyl-2-(3-oxidanylidenebutyl)cyclopentyl] benzoate Openeye Name: [2-ethoxycarbonyl-1-ethynyl-2-(3-oxobutyl)cyclopentyl] benzoate CAS Name: benzoic acid [2-ethoxycarbonyl-1-ethynyl-2-(3-oxobutyl)cyclopentyl] ester IUPAC Name: [2-ethoxycarbonyl-1-ethynyl-2-(3-oxobutyl)cyclopentyl] benzoate Traditional Name: benzoic acid [2-carbethoxy-1-ethynyl-2-(3-ketobutyl)cyclopentyl] ester Formula: C21H24O5 MolecularWeight: 356.41226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCC1(C#C)OC(=O)C2=CC=CC=C2)CCC(=O)C

Isomeric SMILES

CCOC(=O)C1(CCCC1(C#C)OC(=O)C2=CC=CC=C2)CCC(=O)C

InChI

InChI=1S/C21H24O5/c1-4-21(26-18(23)17-10-7-6-8-11-17)14-9-13-20(21,15-12-16(3)22)19(24)25-5-2/h1,6-8,10-11H,5,9,12-15H2,2-3H3