ethanedioic acid; 3-(7-phenethyl-7-azabicyclo[3.2.1]octan-5-yl)phenol

Systemtic Name: ethanedioic acid; 3-(7-phenethyl-7-azabicyclo[3.2.1]octan-5-yl)phenol Openeye Name: oxalic acid; 3-(7-phenethyl-7-azabicyclo[3.2.1]octan-5-yl)phenol CAS Name: oxalic acid; 3-(7-phenethyl-7-azabicyclo[3.2.1]octan-5-yl)phenol IUPAC Name: oxalic acid; 3-(7-phenethyl-7-azabicyclo[3.2.1]octan-5-yl)phenol Traditional Name: oxalic acid; 3-(7-phenethyl-7-azabicyclo[3.2.1]octan-5-yl)phenol Formula: C23H27NO5 MolecularWeight: 397.46418

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(C1)(CN2CCC3=CC=CC=C3)C4=CC(=CC=C4)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC2CC(C1)(CN2CCC3=CC=CC=C3)C4=CC(=CC=C4)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H25NO.C2H2O4/c23-20-10-4-8-18(14-20)21-12-5-9-19(15-21)22(16-21)13-11-17-6-2-1-3-7-17;3-1(4)2(5)6/h1-4,6-8,10,14,19,23H,5,9,11-13,15-16H2;(H,3,4)(H,5,6)