ethyl 5-oxidanylidene-1-pentyl-4-(quinolin-3-ylcarbonylamino)pyrrolidine-3-carboxylate

Systemtic Name: ethyl 5-oxidanylidene-1-pentyl-4-(quinolin-3-ylcarbonylamino)pyrrolidine-3-carboxylate Openeye Name: ethyl 5-oxo-1-pentyl-4-(quinoline-3-carbonylamino)pyrrolidine-3-carboxylate CAS Name: 5-oxo-4-[[oxo(3-quinolinyl)methyl]amino]-1-pentyl-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-oxo-1-pentyl-4-(quinoline-3-carbonylamino)pyrrolidine-3-carboxylate Traditional Name: 1-amyl-5-keto-4-(quinoline-3-carbonylamino)pyrrolidine-3-carboxylic acid ethyl ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CC(C(C1=O)NC(=O)C2=CC3=CC=CC=C3N=C2)C(=O)OCC

Isomeric SMILES

CCCCCN1CC(C(C1=O)NC(=O)C2=CC3=CC=CC=C3N=C2)C(=O)OCC

InChI

InChI=1S/C22H27N3O4/c1-3-5-8-11-25-14-17(22(28)29-4-2)19(21(25)27)24-20(26)16-12-15-9-6-7-10-18(15)23-13-16/h6-7,9-10,12-13,17,19H,3-5,8,11,14H2,1-2H3,(H,24,26)