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

Systemtic Name: methyl 6-bromanyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H24BrN3O4 MolecularWeight: 450.32626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=NC3=C2C=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=NC3=C2C=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C20H24BrN3O4/c1-20(2,3)28-19(26)24-9-7-23(8-10-24)17-12-16(18(25)27-4)22-15-6-5-13(21)11-14(15)17/h5-6,11-12H,7-10H2,1-4H3