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

Systemtic Name: tert-butyl 4-(1-azanyl-2-ethoxy-2-oxidanylidene-ethyl)-1,3,3a,4,5,7a-hexahydroisoindole-2-carboxylate Openeye Name: tert-butyl 4-(1-amino-2-ethoxy-2-oxo-ethyl)-1,3,3a,4,5,7a-hexahydroisoindole-2-carboxylate CAS Name: 4-(1-amino-2-ethoxy-2-oxoethyl)-1,3,3a,4,5,7a-hexahydroisoindole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1-amino-2-ethoxy-2-oxoethyl)-1,3,3a,4,5,7a-hexahydroisoindole-2-carboxylate Traditional Name: 4-(1-amino-2-ethoxy-2-keto-ethyl)-1,3,3a,4,5,7a-hexahydroisoindole-2-carboxylic acid tert-butyl ester Formula: C17H28N2O4 MolecularWeight: 324.41522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1CC=CC2C1CN(C2)C(=O)OC(C)(C)C)N

Isomeric SMILES

CCOC(=O)C(C1CC=CC2C1CN(C2)C(=O)OC(C)(C)C)N

InChI

InChI=1S/C17H28N2O4/c1-5-22-15(20)14(18)12-8-6-7-11-9-19(10-13(11)12)16(21)23-17(2,3)4/h6-7,11-14H,5,8-10,18H2,1-4H3