methyl (1S,3aS,6aR)-1-cyclopropylcarbonyl-1,3a,4,5,6,6a-hexahydropentalene-2-carboxylate

Systemtic Name: methyl (1S,3aS,6aR)-1-cyclopropylcarbonyl-1,3a,4,5,6,6a-hexahydropentalene-2-carboxylate Openeye Name: methyl (1S,3aS,6aR)-1-(cyclopropanecarbonyl)-1,3a,4,5,6,6a-hexahydropentalene-2-carboxylate CAS Name: (1S,3aS,6aR)-1-[cyclopropyl(oxo)methyl]-1,3a,4,5,6,6a-hexahydropentalene-2-carboxylic acid methyl ester IUPAC Name: methyl (1S,3aS,6aR)-1-(cyclopropanecarbonyl)-1,3a,4,5,6,6a-hexahydropentalene-2-carboxylate Traditional Name: (1S,3aS,6aR)-1-(cyclopropanecarbonyl)-1,3a,4,5,6,6a-hexahydropentalene-2-carboxylic acid methyl ester Formula: C14H18O3 MolecularWeight: 234.29092

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2CCCC2C1C(=O)C3CC3

Isomeric SMILES

COC(=O)C1=C[C@H]2CCC[C@H]2[C@@H]1C(=O)C3CC3

InChI

InChI=1S/C14H18O3/c1-17-14(16)11-7-9-3-2-4-10(9)12(11)13(15)8-5-6-8/h7-10,12H,2-6H2,1H3/t9-,10-,12+/m1/s1