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

Systemtic Name: ethyl 1-[(4-cyanophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonylamino]carbamoyl]pyrrolidine-2-carboxylate Openeye Name: ethyl 1-[(tert-butoxycarbonylamino)-[(4-cyanophenyl)methyl]carbamoyl]pyrrolidine-2-carboxylate CAS Name: 1-[[(4-cyanophenyl)methyl-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]amino]-oxomethyl]-2-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-cyanophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonylamino]carbamoyl]pyrrolidine-2-carboxylate Traditional Name: 1-[(tert-butoxycarbonylamino)-(4-cyanobenzyl)carbamoyl]pyrrolidine-2-carboxylic acid ethyl ester Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN1C(=O)N(CC2=CC=C(C=C2)C#N)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1CCCN1C(=O)N(CC2=CC=C(C=C2)C#N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H28N4O5/c1-5-29-18(26)17-7-6-12-24(17)20(28)25(23-19(27)30-21(2,3)4)14-16-10-8-15(13-22)9-11-16/h8-11,17H,5-7,12,14H2,1-4H3,(H,23,27)