ethanedioic acid; 5-phenyl-7-prop-2-enyl-7-azabicyclo[3.2.1]octane

Systemtic Name: ethanedioic acid; 5-phenyl-7-prop-2-enyl-7-azabicyclo[3.2.1]octane Openeye Name: 7-allyl-5-phenyl-7-azabicyclo[3.2.1]octane; oxalic acid CAS Name: oxalic acid; 5-phenyl-7-prop-2-enyl-7-azabicyclo[3.2.1]octane IUPAC Name: oxalic acid; 5-phenyl-7-prop-2-enyl-7-azabicyclo[3.2.1]octane Traditional Name: 7-allyl-5-phenyl-7-azabicyclo[3.2.1]octane; oxalic acid Formula: C18H23NO4 MolecularWeight: 317.37952

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1CC2(CCCC1C2)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C=CCN1CC2(CCCC1C2)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H21N.C2H2O4/c1-2-11-17-13-16(10-6-9-15(17)12-16)14-7-4-3-5-8-14;3-1(4)2(5)6/h2-5,7-8,15H,1,6,9-13H2;(H,3,4)(H,5,6)