tert-butyl 4-[(ethoxycarbonylamino)methyl]-1,3,3a,4,5,7a-hexahydroisoindole-2-carboxylate

Systemtic Name: tert-butyl 4-[(ethoxycarbonylamino)methyl]-1,3,3a,4,5,7a-hexahydroisoindole-2-carboxylate Openeye Name: tert-butyl 4-[(ethoxycarbonylamino)methyl]-1,3,3a,4,5,7a-hexahydroisoindole-2-carboxylate CAS Name: 4-[(ethoxycarbonylamino)methyl]-1,3,3a,4,5,7a-hexahydroisoindole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(ethoxycarbonylamino)methyl]-1,3,3a,4,5,7a-hexahydroisoindole-2-carboxylate Traditional Name: 4-[(carbethoxyamino)methyl]-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)NCC1CC=CC2C1CN(C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)NCC1CC=CC2C1CN(C2)C(=O)OC(C)(C)C

InChI

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