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

Systemtic Name: 7-iodanyl-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 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-quinolinecarboxylate IUPAC Name: 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-carboxylate Formula: C21H24IN2O5- MolecularWeight: 511.33013

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCC(CC1)N2C=C(C(=O)C3=C2C=C(C=C3)I)C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCC(CC1)N2C=C(C(=O)C3=C2C=C(C=C3)I)C(=O)[O-]

InChI

InChI=1S/C21H25IN2O5/c1-21(2,3)29-20(28)23-13-5-7-14(8-6-13)24-11-16(19(26)27)18(25)15-9-4-12(22)10-17(15)24/h4,9-11,13-14H,5-8H2,1-3H3,(H,23,28)(H,26,27)/p-1