tert-butyl 4-(2-ethoxy-2-oxidanylidene-ethyl)-1,3,3a,4,5,7a-hexahydroisoindole-2-carboxylate

Systemtic Name: tert-butyl 4-(2-ethoxy-2-oxidanylidene-ethyl)-1,3,3a,4,5,7a-hexahydroisoindole-2-carboxylate Openeye Name: tert-butyl 4-(2-ethoxy-2-oxo-ethyl)-1,3,3a,4,5,7a-hexahydroisoindole-2-carboxylate CAS Name: 4-(2-ethoxy-2-oxoethyl)-1,3,3a,4,5,7a-hexahydroisoindole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-ethoxy-2-oxoethyl)-1,3,3a,4,5,7a-hexahydroisoindole-2-carboxylate Traditional Name: 4-(2-ethoxy-2-keto-ethyl)-1,3,3a,4,5,7a-hexahydroisoindole-2-carboxylic acid tert-butyl ester Formula: C17H27NO4 MolecularWeight: 309.40058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1CC=CC2C1CN(C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)CC1CC=CC2C1CN(C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H27NO4/c1-5-21-15(19)9-12-7-6-8-13-10-18(11-14(12)13)16(20)22-17(2,3)4/h6,8,12-14H,5,7,9-11H2,1-4H3