ethanedioic acid; 6-phenyl-2-prop-2-enyl-2-azabicyclo[4.2.1]nonane

Systemtic Name: ethanedioic acid; 6-phenyl-2-prop-2-enyl-2-azabicyclo[4.2.1]nonane Openeye Name: 2-allyl-6-phenyl-2-azabicyclo[4.2.1]nonane; oxalic acid CAS Name: oxalic acid; 6-phenyl-2-prop-2-enyl-2-azabicyclo[4.2.1]nonane IUPAC Name: oxalic acid; 6-phenyl-2-prop-2-enyl-2-azabicyclo[4.2.1]nonane Traditional Name: 2-allyl-6-phenyl-2-azabicyclo[4.2.1]nonane; oxalic acid Formula: C19H25NO4 MolecularWeight: 331.4061

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1CCCC2(CCC1C2)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C=CCN1CCCC2(CCC1C2)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H23N.C2H2O4/c1-2-12-18-13-6-10-17(11-9-16(18)14-17)15-7-4-3-5-8-15;3-1(4)2(5)6/h2-5,7-8,16H,1,6,9-14H2;(H,3,4)(H,5,6)