methyl 2,4,4-trimethyl-7-oxidanylidene-3,5,6,7a-tetrahydro-1H-isoindole-3a-carboxylate

Systemtic Name: methyl 2,4,4-trimethyl-7-oxidanylidene-3,5,6,7a-tetrahydro-1H-isoindole-3a-carboxylate Openeye Name: methyl 2,4,4-trimethyl-7-oxo-3,5,6,7a-tetrahydro-1H-isoindole-3a-carboxylate CAS Name: 2,4,4-trimethyl-7-oxo-3,5,6,7a-tetrahydro-1H-isoindole-3a-carboxylic acid methyl ester IUPAC Name: methyl 2,4,4-trimethyl-7-oxo-3,5,6,7a-tetrahydro-1H-isoindole-3a-carboxylate Traditional Name: 7-keto-2,4,4-trimethyl-3,5,6,7a-tetrahydro-1H-isoindole-3a-carboxylic acid methyl ester Formula: C13H21NO3 MolecularWeight: 239.31074

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)C2C1(CN(C2)C)C(=O)OC)C

Isomeric SMILES

CC1(CCC(=O)C2C1(CN(C2)C)C(=O)OC)C

InChI

InChI=1S/C13H21NO3/c1-12(2)6-5-10(15)9-7-14(3)8-13(9,12)11(16)17-4/h9H,5-8H2,1-4H3