methyl 5-iodanyl-6-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enyl-amino]-8-phenylmethoxy-quinoline-3-carboxylate

Systemtic Name: methyl 5-iodanyl-6-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enyl-amino]-8-phenylmethoxy-quinoline-3-carboxylate Openeye Name: methyl 6-[allyl(tert-butoxycarbonyl)amino]-8-benzyloxy-5-iodo-quinoline-3-carboxylate CAS Name: 5-iodo-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]-prop-2-enylamino]-8-phenylmethoxy-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 5-iodo-6-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]-8-phenylmethoxyquinoline-3-carboxylate Traditional Name: 6-[allyl(tert-butoxycarbonyl)amino]-8-benzoxy-5-iodo-quinoline-3-carboxylic acid methyl ester Formula: C26H27IN2O5 MolecularWeight: 574.40745

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27IN2O5/c1-6-12-29(25(31)34-26(2,3)4)20-14-21(33-16-17-10-8-7-9-11-17)23-19(22(20)27)13-18(15-28-23)24(30)32-5/h6-11,13-15H,1,12,16H2,2-5H3