ethyl 7-chloranyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-2-carboxylate

Systemtic Name: ethyl 7-chloranyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-2-carboxylate Openeye Name: ethyl 4-(4-tert-butoxycarbonylpiperazin-1-yl)-7-chloro-quinoline-2-carboxylate CAS Name: 7-chloro-4-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-2-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-chloro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-2-carboxylate Traditional Name: 4-(4-tert-butoxycarbonylpiperazino)-7-chloro-quinaldic acid ethyl ester Formula: C21H26ClN3O4 MolecularWeight: 419.90184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=C(C=CC(=C2)Cl)C(=C1)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=NC2=C(C=CC(=C2)Cl)C(=C1)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H26ClN3O4/c1-5-28-19(26)17-13-18(15-7-6-14(22)12-16(15)23-17)24-8-10-25(11-9-24)20(27)29-21(2,3)4/h6-7,12-13H,5,8-11H2,1-4H3