tert-butyl 2-oxa-1-azabicyclo[2.2.2]octane-5-carboxylate; 4-chloranyl-7-methoxy-quinazoline

Systemtic Name: tert-butyl 2-oxa-1-azabicyclo[2.2.2]octane-5-carboxylate; 4-chloranyl-7-methoxy-quinazoline Openeye Name: tert-butyl 2-oxa-1-azabicyclo[2.2.2]octane-5-carboxylate; 4-chloro-7-methoxy-quinazoline CAS Name: 4-chloro-7-methoxyquinazoline; 2-oxa-1-azabicyclo[2.2.2]octane-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-oxa-1-azabicyclo[2.2.2]octane-5-carboxylate; 4-chloro-7-methoxyquinazoline Traditional Name: 4-chloro-7-methoxy-quinazoline; 2-oxa-1-azabicyclo[2.2.2]octane-5-carboxylic acid tert-butyl ester Formula: C20H26ClN3O4 MolecularWeight: 407.89114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CN2CCC1CO2.COC1=CC2=C(C=C1)C(=NC=N2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C1CN2CCC1CO2.COC1=CC2=C(C=C1)C(=NC=N2)Cl

InChI

InChI=1S/C11H19NO3.C9H7ClN2O/c1-11(2,3)15-10(13)9-6-12-5-4-8(9)7-14-12;1-13-6-2-3-7-8(4-6)11-5-12-9(7)10/h8-9H,4-7H2,1-3H3;2-5H,1H3