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

Systemtic Name: ethyl 7-iodanyl-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-[4-(tert-butoxycarbonylamino)cyclohexyl]-7-iodo-4-oxo-quinoline-3-carboxylate CAS Name: 7-iodo-1-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]cyclohexyl]-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-iodo-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-4-oxoquinoline-3-carboxylate Traditional Name: 1-[4-(tert-butoxycarbonylamino)cyclohexyl]-7-iodo-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C23H29IN2O5 MolecularWeight: 540.39123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2)I)C3CCC(CC3)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2)I)C3CCC(CC3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C23H29IN2O5/c1-5-30-21(28)18-13-26(19-12-14(24)6-11-17(19)20(18)27)16-9-7-15(8-10-16)25-22(29)31-23(2,3)4/h6,11-13,15-16H,5,7-10H2,1-4H3,(H,25,29)