methyl 5-iodanyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-8-phenylmethoxy-quinoline-3-carboxylate

Systemtic Name: methyl 5-iodanyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-8-phenylmethoxy-quinoline-3-carboxylate Openeye Name: methyl 8-benzyloxy-6-(tert-butoxycarbonylamino)-5-iodo-quinoline-3-carboxylate CAS Name: 5-iodo-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-8-phenylmethoxy-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 5-iodo-6-[(2-methylpropan-2-yl)oxycarbonylamino]-8-phenylmethoxyquinoline-3-carboxylate Traditional Name: 8-benzoxy-6-(tert-butoxycarbonylamino)-5-iodo-quinoline-3-carboxylic acid methyl ester Formula: C23H23IN2O5 MolecularWeight: 534.34359

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C2=CC(=CN=C2C(=C1)OCC3=CC=CC=C3)C(=O)OC)I

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C2=CC(=CN=C2C(=C1)OCC3=CC=CC=C3)C(=O)OC)I

InChI

InChI=1S/C23H23IN2O5/c1-23(2,3)31-22(28)26-17-11-18(30-13-14-8-6-5-7-9-14)20-16(19(17)24)10-15(12-25-20)21(27)29-4/h5-12H,13H2,1-4H3,(H,26,28)