ethyl 7-bromanyl-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 7-bromanyl-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 7-bromo-1-[3-(tert-butoxycarbonylamino)propyl]-4-oxo-quinoline-3-carboxylate CAS Name: 7-bromo-1-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-bromo-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4-oxoquinoline-3-carboxylate Traditional Name: 7-bromo-1-[3-(tert-butoxycarbonylamino)propyl]-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C20H25BrN2O5 MolecularWeight: 453.3269

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2)Br)CCCNC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2)Br)CCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C20H25BrN2O5/c1-5-27-18(25)15-12-23(10-6-9-22-19(26)28-20(2,3)4)16-11-13(21)7-8-14(16)17(15)24/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,22,26)