methyl 3-(4-prop-1-ynylphenyl)-8-oxabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: methyl 3-(4-prop-1-ynylphenyl)-8-oxabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl 3-(4-prop-1-ynylphenyl)-8-oxabicyclo[3.2.1]octane-4-carboxylate CAS Name: 3-(4-prop-1-ynylphenyl)-8-oxabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-prop-1-ynylphenyl)-8-oxabicyclo[3.2.1]octane-4-carboxylate Traditional Name: 3-(4-prop-1-ynylphenyl)-8-oxabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C18H20O3 MolecularWeight: 284.3496

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=CC=C(C=C1)C2CC3CCC(C2C(=O)OC)O3

Isomeric SMILES

CC#CC1=CC=C(C=C1)C2CC3CCC(C2C(=O)OC)O3

InChI

InChI=1S/C18H20O3/c1-3-4-12-5-7-13(8-6-12)15-11-14-9-10-16(21-14)17(15)18(19)20-2/h5-8,14-17H,9-11H2,1-2H3