[(E)-3-[(5-iodanyl-8-phenylmethoxy-quinolin-6-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]prop-1-enyl] ethanoate

Systemtic Name: [(E)-3-[(5-iodanyl-8-phenylmethoxy-quinolin-6-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]prop-1-enyl] ethanoate Openeye Name: [(E)-3-[(8-benzyloxy-5-iodo-6-quinolyl)-tert-butoxycarbonyl-amino]prop-1-enyl] acetate CAS Name: acetic acid [(E)-3-[(5-iodo-8-phenylmethoxy-6-quinolinyl)-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]prop-1-enyl] ester IUPAC Name: [(E)-3-[(5-iodo-8-phenylmethoxyquinolin-6-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]prop-1-enyl] acetate Traditional Name: acetic acid [(E)-3-[(8-benzoxy-5-iodo-6-quinolyl)-tert-butoxycarbonyl-amino]prop-1-enyl] ester Formula: C26H27IN2O5 MolecularWeight: 574.40745

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC=CCN(C1=CC(=C2C(=C1I)C=CC=N2)OCC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)O/C=C/CN(C1=CC(=C2C(=C1I)C=CC=N2)OCC3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H27IN2O5/c1-18(30)32-15-9-14-29(25(31)34-26(2,3)4)21-16-22(33-17-19-10-6-5-7-11-19)24-20(23(21)27)12-8-13-28-24/h5-13,15-16H,14,17H2,1-4H3/b15-9+