1-azabicyclo[2.2.0]hexane; 2-(2-ethoxy-3-propan-2-yl-phenyl)carbonylbenzoate; hydrochloride

Systemtic Name: 1-azabicyclo[2.2.0]hexane; 2-(2-ethoxy-3-propan-2-yl-phenyl)carbonylbenzoate; hydrochloride Openeye Name: 1-azabicyclo[2.2.0]hexane; 2-(2-ethoxy-3-isopropyl-benzoyl)benzoate; hydrochloride CAS Name: 1-azabicyclo[2.2.0]hexane; 2-[(2-ethoxy-3-propan-2-ylphenyl)-oxomethyl]benzoate; hydrochloride IUPAC Name: 1-azabicyclo[2.2.0]hexane; 2-(2-ethoxy-3-propan-2-ylbenzoyl)benzoate; hydrochloride Traditional Name: 1-azabicyclo[2.2.0]hexane; 2-(2-ethoxy-3-isopropyl-benzoyl)benzoate; hydrochloride Formula: C24H29ClNO4- MolecularWeight: 430.94436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=C1C(C)C)C(=O)C2=CC=CC=C2C(=O)[O-].C1CN2C1CC2.Cl

Isomeric SMILES

CCOC1=C(C=CC=C1C(C)C)C(=O)C2=CC=CC=C2C(=O)[O-].C1CN2C1CC2.Cl

InChI

InChI=1S/C19H20O4.C5H9N.ClH/c1-4-23-18-13(12(2)3)10-7-11-16(18)17(20)14-8-5-6-9-15(14)19(21)22;1-3-6-4-2-5(1)6;/h5-12H,4H2,1-3H3,(H,21,22);5H,1-4H2;1H/p-1