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

Systemtic Name: 3-[[(E)-2-cyano-3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoate Openeye Name: 3-[[(E)-2-cyano-3-[3-methoxy-4-(p-tolylmethoxy)phenyl]prop-2-enoyl]amino]benzoate CAS Name: 3-[[(E)-2-cyano-3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1-oxoprop-2-enyl]amino]benzoate IUPAC Name: 3-[[(E)-2-cyano-3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoate Traditional Name: 3-[[(E)-2-cyano-3-[3-methoxy-4-(4-methylbenzyl)oxy-phenyl]acryloyl]amino]benzoate Formula: C26H21N2O5- MolecularWeight: 441.45534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)[O-])OC

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC=CC(=C3)C(=O)[O-])OC

InChI

InChI=1S/C26H22N2O5/c1-17-6-8-18(9-7-17)16-33-23-11-10-19(13-24(23)32-2)12-21(15-27)25(29)28-22-5-3-4-20(14-22)26(30)31/h3-14H,16H2,1-2H3,(H,28,29)(H,30,31)/p-1/b21-12+