O1-tert-butyl O4-[(3-chloranyl-4-methyl-quinolin-2-yl)methyl] piperidine-1,4-dicarboxylate

Systemtic Name: O1-tert-butyl O4-[(3-chloranyl-4-methyl-quinolin-2-yl)methyl] piperidine-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-[(3-chloro-4-methyl-2-quinolyl)methyl] piperidine-1,4-dicarboxylate CAS Name: piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-[(3-chloro-4-methyl-2-quinolinyl)methyl] ester IUPAC Name: 1-O-tert-butyl 4-O-[(3-chloro-4-methylquinolin-2-yl)methyl] piperidine-1,4-dicarboxylate Traditional Name: piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-[(3-chloro-4-methyl-2-quinolyl)methyl] ester Formula: C22H27ClN2O4 MolecularWeight: 418.91378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3CCN(CC3)C(=O)OC(C)(C)C)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3CCN(CC3)C(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C22H27ClN2O4/c1-14-16-7-5-6-8-17(16)24-18(19(14)23)13-28-20(26)15-9-11-25(12-10-15)21(27)29-22(2,3)4/h5-8,15H,9-13H2,1-4H3