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

Systemtic Name: 3-[[2-cyano-3-[3-iodanyl-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-[3-iodo-5-methoxy-4-(o-tolylmethoxy)phenyl]prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-[3-iodo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-[3-iodo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-[3-iodo-5-methoxy-4-(2-methylbenzyl)oxy-phenyl]acryloyl]amino]benzoic acid Formula: C26H21IN2O5 MolecularWeight: 568.35981

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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)