ethyl 4-[(3-cyanophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonylamino]carbamoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3-cyanophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonylamino]carbamoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(tert-butoxycarbonylamino)-[(3-cyanophenyl)methyl]carbamoyl]piperazine-1-carboxylate CAS Name: 4-[[(3-cyanophenyl)methyl-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]amino]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-cyanophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonylamino]carbamoyl]piperazine-1-carboxylate Traditional Name: 4-[(tert-butoxycarbonylamino)-(3-cyanobenzyl)carbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H29N5O5 MolecularWeight: 431.48546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)N(CC2=CC=CC(=C2)C#N)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)N(CC2=CC=CC(=C2)C#N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H29N5O5/c1-5-30-20(29)25-11-9-24(10-12-25)19(28)26(23-18(27)31-21(2,3)4)15-17-8-6-7-16(13-17)14-22/h6-8,13H,5,9-12,15H2,1-4H3,(H,23,27)