7-(butoxycarbonylamino)-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid

Systemtic Name: 7-(butoxycarbonylamino)-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid Openeye Name: 7-(butoxycarbonylamino)-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid CAS Name: 7-[[butoxy(oxo)methyl]amino]-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid IUPAC Name: 7-(butoxycarbonylamino)-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid Traditional Name: 7-(butoxycarbonylamino)-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid Formula: C15H23NO6 MolecularWeight: 313.34622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC1CC(=CC2C1OC(O2)(C)C)C(=O)O

Isomeric SMILES

CCCCOC(=O)NC1CC(=CC2C1OC(O2)(C)C)C(=O)O

InChI

InChI=1S/C15H23NO6/c1-4-5-6-20-14(19)16-10-7-9(13(17)18)8-11-12(10)22-15(2,3)21-11/h8,10-12H,4-7H2,1-3H3,(H,16,19)(H,17,18)