tert-butyl 8-aminocarbonyl-2-(piperidin-4-ylmethyl)quinoline-3-carboxylate

Systemtic Name: tert-butyl 8-aminocarbonyl-2-(piperidin-4-ylmethyl)quinoline-3-carboxylate Openeye Name: tert-butyl 8-carbamoyl-2-(4-piperidylmethyl)quinoline-3-carboxylate CAS Name: 8-carbamoyl-2-(4-piperidinylmethyl)-3-quinolinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 8-carbamoyl-2-(piperidin-4-ylmethyl)quinoline-3-carboxylate Traditional Name: 8-carbamoyl-2-(4-piperidylmethyl)quinoline-3-carboxylic acid tert-butyl ester Formula: C21H27N3O3 MolecularWeight: 369.45738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(N=C2C(=C1)C=CC=C2C(=O)N)CC3CCNCC3

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(N=C2C(=C1)C=CC=C2C(=O)N)CC3CCNCC3

InChI

InChI=1S/C21H27N3O3/c1-21(2,3)27-20(26)16-12-14-5-4-6-15(19(22)25)18(14)24-17(16)11-13-7-9-23-10-8-13/h4-6,12-13,23H,7-11H2,1-3H3,(H2,22,25)