ethyl 8-[3-(4-cyanophenoxy)-2-(methoxycarbonylamino)propyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate

Systemtic Name: ethyl 8-[3-(4-cyanophenoxy)-2-(methoxycarbonylamino)propyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate Openeye Name: ethyl 8-[3-(4-cyanophenoxy)-2-(methoxycarbonylamino)propyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate CAS Name: 8-[3-(4-cyanophenoxy)-2-(methoxycarbonylamino)propyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid ethyl ester IUPAC Name: ethyl 8-[3-(4-cyanophenoxy)-2-(methoxycarbonylamino)propyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate Traditional Name: 8-[2-(carbomethoxyamino)-3-(4-cyanophenoxy)propyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid ethyl ester Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC2CCC(C1)N2CC(COC3=CC=C(C=C3)C#N)NC(=O)OC

Isomeric SMILES

CCOC(=O)N1CC2CCC(C1)N2CC(COC3=CC=C(C=C3)C#N)NC(=O)OC

InChI

InChI=1S/C21H28N4O5/c1-3-29-21(27)24-12-17-6-7-18(13-24)25(17)11-16(23-20(26)28-2)14-30-19-8-4-15(10-22)5-9-19/h4-5,8-9,16-18H,3,6-7,11-14H2,1-2H3,(H,23,26)