6-(2-methylpropyl)-5-oxidanylidene-11-oxa-4-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-3,7-dicarboxylic acid

Systemtic Name: 6-(2-methylpropyl)-5-oxidanylidene-11-oxa-4-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-3,7-dicarboxylic acid Openeye Name: 6-isobutyl-5-oxo-11-oxa-4-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-3,7-dicarboxylic acid CAS Name: 6-(2-methylpropyl)-5-oxo-11-oxa-4-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-3,7-dicarboxylic acid IUPAC Name: 6-(2-methylpropyl)-5-oxo-11-oxa-4-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-3,7-dicarboxylic acid Traditional Name: 6-isobutyl-5-keto-11-oxa-4-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-3,7-dicarboxylic acid Formula: C20H27NO6 MolecularWeight: 377.43148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(CCCOC2=CC=C(CC(NC1=O)C(=O)O)C=C2)C(=O)O

Isomeric SMILES

CC(C)CC1C(CCCOC2=CC=C(CC(NC1=O)C(=O)O)C=C2)C(=O)O

InChI

InChI=1S/C20H27NO6/c1-12(2)10-16-15(19(23)24)4-3-9-27-14-7-5-13(6-8-14)11-17(20(25)26)21-18(16)22/h5-8,12,15-17H,3-4,9-11H2,1-2H3,(H,21,22)(H,23,24)(H,25,26)