3-[[(Z)-2-cyano-3-[3-iodanyl-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoate

Systemtic Name: 3-[[(Z)-2-cyano-3-[3-iodanyl-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoate Openeye Name: 3-[[(Z)-2-cyano-3-[3-iodo-5-methoxy-4-(o-tolylmethoxy)phenyl]prop-2-enoyl]amino]benzoate CAS Name: 3-[[(Z)-2-cyano-3-[3-iodo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1-oxoprop-2-enyl]amino]benzoate IUPAC Name: 3-[[(Z)-2-cyano-3-[3-iodo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoate Traditional Name: 3-[[(Z)-2-cyano-3-[3-iodo-5-methoxy-4-(2-methylbenzyl)oxy-phenyl]acryloyl]amino]benzoate Formula: C26H20IN2O5- MolecularWeight: 567.35187

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC2=C(C=C(C=C2I)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)[O-])OC

Isomeric SMILES

CC1=CC=CC=C1COC2=C(C=C(C=C2I)/C=C(/C#N)\C(=O)NC3=CC=CC(=C3)C(=O)[O-])OC

InChI

InChI=1S/C26H21IN2O5/c1-16-6-3-4-7-19(16)15-34-24-22(27)11-17(12-23(24)33-2)10-20(14-28)25(30)29-21-9-5-8-18(13-21)26(31)32/h3-13H,15H2,1-2H3,(H,29,30)(H,31,32)/p-1/b20-10-