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

Systemtic Name: 7-(butoxycarbonylamino)-2,2-diethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid Openeye Name: 7-(butoxycarbonylamino)-2,2-diethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid CAS Name: 7-[[butoxy(oxo)methyl]amino]-2,2-diethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid IUPAC Name: 7-(butoxycarbonylamino)-2,2-diethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid Traditional Name: 7-(butoxycarbonylamino)-2,2-diethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid Formula: C17H27NO6 MolecularWeight: 341.39938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO6/c1-4-7-8-22-16(21)18-12-9-11(15(19)20)10-13-14(12)24-17(5-2,6-3)23-13/h10,12-14H,4-9H2,1-3H3,(H,18,21)(H,19,20)