ethyl 4-[3-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(tert-butoxycarbonylamino)-3-(1H-imidazol-5-yl)propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-(1H-imidazol-5-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperazine-1-carboxylate Traditional Name: 4-[2-(tert-butoxycarbonylamino)-3-(1H-imidazol-5-yl)propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H29N5O5 MolecularWeight: 395.45336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(CC2=CN=CN2)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(CC2=CN=CN2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C18H29N5O5/c1-5-27-17(26)23-8-6-22(7-9-23)15(24)14(10-13-11-19-12-20-13)21-16(25)28-18(2,3)4/h11-12,14H,5-10H2,1-4H3,(H,19,20)(H,21,25)