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

Systemtic Name: methyl 2-[[2-cyano-3-[3-ethoxy-5-iodanyl-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoate Openeye Name: methyl 2-[[2-cyano-3-[3-ethoxy-5-iodo-4-(o-tolylmethoxy)phenyl]prop-2-enoyl]amino]benzoate CAS Name: 2-[[2-cyano-3-[3-ethoxy-5-iodo-4-[(2-methylphenyl)methoxy]phenyl]-1-oxoprop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-cyano-3-[3-ethoxy-5-iodo-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoate Traditional Name: 2-[[2-cyano-3-[3-ethoxy-5-iodo-4-(2-methylbenzyl)oxy-phenyl]acryloyl]amino]benzoic acid methyl ester Formula: C28H25IN2O5 MolecularWeight: 596.41297

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)OC)I)OCC3=CC=CC=C3C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)OC)I)OCC3=CC=CC=C3C

InChI

InChI=1S/C28H25IN2O5/c1-4-35-25-15-19(14-23(29)26(25)36-17-20-10-6-5-9-18(20)2)13-21(16-30)27(32)31-24-12-8-7-11-22(24)28(33)34-3/h5-15H,4,17H2,1-3H3,(H,31,32)