4-[(4-phenoxyphenyl)methylamino]bicyclo[3.1.0]hexane-4,6-dicarboxylic acid

Systemtic Name: 4-[(4-phenoxyphenyl)methylamino]bicyclo[3.1.0]hexane-4,6-dicarboxylic acid Openeye Name: 4-[(4-phenoxyphenyl)methylamino]bicyclo[3.1.0]hexane-4,6-dicarboxylic acid CAS Name: 4-[(4-phenoxyphenyl)methylamino]bicyclo[3.1.0]hexane-4,6-dicarboxylic acid IUPAC Name: 4-[(4-phenoxyphenyl)methylamino]bicyclo[3.1.0]hexane-4,6-dicarboxylic acid Traditional Name: 4-[(4-phenoxybenzyl)amino]bicyclo[3.1.0]hexane-4,6-dicarboxylic acid Formula: C21H21NO5 MolecularWeight: 367.39514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2C1C2C(=O)O)(C(=O)O)NCC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CC(C2C1C2C(=O)O)(C(=O)O)NCC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C21H21NO5/c23-19(24)17-16-10-11-21(18(16)17,20(25)26)22-12-13-6-8-15(9-7-13)27-14-4-2-1-3-5-14/h1-9,16-18,22H,10-12H2,(H,23,24)(H,25,26)