1H-indole; 2-methyl-2-azabicyclo[2.2.2]octane-3,5-dicarboxylic acid

Systemtic Name: 1H-indole; 2-methyl-2-azabicyclo[2.2.2]octane-3,5-dicarboxylic acid Openeye Name: indole; 2-methyl-2-azabicyclo[2.2.2]octane-3,5-dicarboxylic acid CAS Name: 1H-indole; 2-methyl-2-azabicyclo[2.2.2]octane-3,5-dicarboxylic acid IUPAC Name: 1H-indole; 2-methyl-2-azabicyclo[2.2.2]octane-3,5-dicarboxylic acid Traditional Name: indole; 2-methyl-2-azabicyclo[2.2.2]octane-3,5-dicarboxylic acid Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC(C1C(=O)O)C(C2)C(=O)O.C1=CC=C2C(=C1)C=CN2

Isomeric SMILES

CN1C2CCC(C1C(=O)O)C(C2)C(=O)O.C1=CC=C2C(=C1)C=CN2

InChI

InChI=1S/C10H15NO4.C8H7N/c1-11-5-2-3-6(8(11)10(14)15)7(4-5)9(12)13;1-2-4-8-7(3-1)5-6-9-8/h5-8H,2-4H2,1H3,(H,12,13)(H,14,15);1-6,9H