ethyl 5-(1-adamantylcarbonyloxy)-7-azabicyclo[4.1.0]hepta-1,3,5-triene-2-carboxylate

Systemtic Name: ethyl 5-(1-adamantylcarbonyloxy)-7-azabicyclo[4.1.0]hepta-1,3,5-triene-2-carboxylate Openeye Name: ethyl 5-(adamantane-1-carbonyloxy)-7-azabicyclo[4.1.0]hepta-1,3,5-triene-2-carboxylate CAS Name: 5-[1-adamantyl(oxo)methoxy]-7-azabicyclo[4.1.0]hepta-1,3,5-triene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(adamantane-1-carbonyloxy)-7-azabicyclo[4.1.0]hepta-1,3,5-triene-2-carboxylate Traditional Name: 5-(adamantane-1-carbonyloxy)-7-azabicyclo[4.1.0]hepta-1,3,5-triene-2-carboxylic acid ethyl ester Formula: C20H23NO4 MolecularWeight: 341.40092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=C(C=C1)OC(=O)C34CC5CC(C3)CC(C5)C4)N2

Isomeric SMILES

CCOC(=O)C1=C2C(=C(C=C1)OC(=O)C34CC5CC(C3)CC(C5)C4)N2

InChI

InChI=1S/C20H23NO4/c1-2-24-18(22)14-3-4-15(17-16(14)21-17)25-19(23)20-8-11-5-12(9-20)7-13(6-11)10-20/h3-4,11-13,21H,2,5-10H2,1H3