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

Systemtic Name: 3-[[(Z)-3-[3-bromanyl-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyano-prop-2-enoyl]amino]benzoate Openeye Name: 3-[[(Z)-3-[3-bromo-5-ethoxy-4-(m-tolylmethoxy)phenyl]-2-cyano-prop-2-enoyl]amino]benzoate CAS Name: 3-[[(Z)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoate IUPAC Name: 3-[[(Z)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoate Traditional Name: 3-[[(Z)-3-[3-bromo-5-ethoxy-4-(3-methylbenzyl)oxy-phenyl]-2-cyano-acryloyl]amino]benzoate Formula: C27H22BrN2O5- MolecularWeight: 534.37798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)[O-])Br)OCC3=CC=CC(=C3)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(/C#N)\C(=O)NC2=CC=CC(=C2)C(=O)[O-])Br)OCC3=CC=CC(=C3)C

InChI

InChI=1S/C27H23BrN2O5/c1-3-34-24-13-19(12-23(28)25(24)35-16-18-7-4-6-17(2)10-18)11-21(15-29)26(31)30-22-9-5-8-20(14-22)27(32)33/h4-14H,3,16H2,1-2H3,(H,30,31)(H,32,33)/p-1/b21-11-