butyl 6-bromanyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-2-carboxylate

Systemtic Name: butyl 6-bromanyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-2-carboxylate Openeye Name: butyl 6-bromo-4-(4-tert-butoxycarbonylpiperazin-1-yl)quinoline-2-carboxylate CAS Name: 6-bromo-4-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-2-quinolinecarboxylic acid butyl ester IUPAC Name: butyl 6-bromo-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-2-carboxylate Traditional Name: 6-bromo-4-(4-tert-butoxycarbonylpiperazino)quinaldic acid butyl ester Formula: C23H30BrN3O4 MolecularWeight: 492.406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=NC2=C(C=C(C=C2)Br)C(=C1)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCOC(=O)C1=NC2=C(C=C(C=C2)Br)C(=C1)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H30BrN3O4/c1-5-6-13-30-21(28)19-15-20(17-14-16(24)7-8-18(17)25-19)26-9-11-27(12-10-26)22(29)31-23(2,3)4/h7-8,14-15H,5-6,9-13H2,1-4H3