tert-butyl (2S)-2-[[(6-methoxyquinolin-2-yl)methylideneamino]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[[(6-methoxyquinolin-2-yl)methylideneamino]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[[(6-methoxy-2-quinolyl)methyleneamino]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[2-[(6-methoxy-2-quinolinyl)methylidene]hydrazinyl]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(6-methoxyquinolin-2-yl)methylideneamino]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[(6-methoxy-2-quinolyl)methyleneamino]carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)NN=CC2=NC3=C(C=C2)C=C(C=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NN=CC2=NC3=C(C=C2)C=C(C=C3)OC

InChI

InChI=1S/C21H26N4O4/c1-21(2,3)29-20(27)25-11-5-6-18(25)19(26)24-22-13-15-8-7-14-12-16(28-4)9-10-17(14)23-15/h7-10,12-13,18H,5-6,11H2,1-4H3,(H,24,26)/t18-/m0/s1