[1-ethynyl-2-[3-(2-methanoylphenyl)prop-2-ynyl]-2-methyl-3-oxidanylidene-cyclopentyl] ethanoate

Systemtic Name: [1-ethynyl-2-[3-(2-methanoylphenyl)prop-2-ynyl]-2-methyl-3-oxidanylidene-cyclopentyl] ethanoate Openeye Name: [1-ethynyl-2-[3-(2-formylphenyl)prop-2-ynyl]-2-methyl-3-oxo-cyclopentyl] acetate CAS Name: acetic acid [1-ethynyl-2-[3-(2-formylphenyl)prop-2-ynyl]-2-methyl-3-oxocyclopentyl] ester IUPAC Name: [1-ethynyl-2-[3-(2-formylphenyl)prop-2-ynyl]-2-methyl-3-oxocyclopentyl] acetate Traditional Name: acetic acid [1-ethynyl-2-[3-(2-formylphenyl)prop-2-ynyl]-3-keto-2-methyl-cyclopentyl] ester Formula: C20H18O4 MolecularWeight: 322.35452

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(CCC(=O)C1(C)CC#CC2=CC=CC=C2C=O)C#C

Isomeric SMILES

CC(=O)OC1(CCC(=O)C1(C)CC#CC2=CC=CC=C2C=O)C#C

InChI

InChI=1S/C20H18O4/c1-4-20(24-15(2)22)13-11-18(23)19(20,3)12-7-10-16-8-5-6-9-17(16)14-21/h1,5-6,8-9,14H,11-13H2,2-3H3