3-tert-butylbicyclo[2.2.0]hexa-1,3,5-triene; (2-imidazol-1-yl-1-phenyl-ethyl) propyl carbonate

Systemtic Name: 3-tert-butylbicyclo[2.2.0]hexa-1,3,5-triene; (2-imidazol-1-yl-1-phenyl-ethyl) propyl carbonate Openeye Name: 3-tert-butylbicyclo[2.2.0]hexa-1,3,5-triene; (2-imidazol-1-yl-1-phenyl-ethyl) propyl carbonate CAS Name: 3-tert-butylbicyclo[2.2.0]hexa-1,3,5-triene; carbonic acid [2-(1-imidazolyl)-1-phenylethyl] propyl ester IUPAC Name: 3-tert-butylbicyclo[2.2.0]hexa-1,3,5-triene; (2-imidazol-1-yl-1-phenylethyl) propyl carbonate Traditional Name: 3-tert-butylbicyclo[2.2.0]hexa-1,3,5-triene; carbonic acid (2-imidazol-1-yl-1-phenyl-ethyl) propyl ester Formula: C25H30N2O3 MolecularWeight: 406.5173

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)OC(CN1C=CN=C1)C2=CC=CC=C2.CC(C)(C)C1=C2C=CC2=C1

Isomeric SMILES

CCCOC(=O)OC(CN1C=CN=C1)C2=CC=CC=C2.CC(C)(C)C1=C2C=CC2=C1

InChI

InChI=1S/C15H18N2O3.C10H12/c1-2-10-19-15(18)20-14(11-17-9-8-16-12-17)13-6-4-3-5-7-13;1-10(2,3)9-6-7-4-5-8(7)9/h3-9,12,14H,2,10-11H2,1H3;4-6H,1-3H3