ethyl 4-[4-(3-chlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-yn-2-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-(3-chlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-yn-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[1-[(tert-butoxycarbonylamino)methyl]-3-(3-chlorophenyl)prop-2-ynyl]piperazine-1-carboxylate CAS Name: 4-[4-(3-chlorophenyl)-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]but-3-yn-2-yl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-chlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-yn-2-yl]piperazine-1-carboxylate Traditional Name: 4-[1-[(tert-butoxycarbonylamino)methyl]-3-(3-chlorophenyl)prop-2-ynyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H30ClN3O4 MolecularWeight: 435.9443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(CNC(=O)OC(C)(C)C)C#CC2=CC(=CC=C2)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(CNC(=O)OC(C)(C)C)C#CC2=CC(=CC=C2)Cl

InChI

InChI=1S/C22H30ClN3O4/c1-5-29-21(28)26-13-11-25(12-14-26)19(16-24-20(27)30-22(2,3)4)10-9-17-7-6-8-18(23)15-17/h6-8,15,19H,5,11-14,16H2,1-4H3,(H,24,27)