methyl 4-[[(E)-2-cyano-3-(3-ethoxy-4-oxidanyl-5-prop-2-enyl-phenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: methyl 4-[[(E)-2-cyano-3-(3-ethoxy-4-oxidanyl-5-prop-2-enyl-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: methyl 4-[[(E)-3-(3-allyl-5-ethoxy-4-hydroxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)-1-oxoprop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(E)-2-cyano-3-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(3-allyl-5-ethoxy-4-hydroxy-phenyl)-2-cyano-acryloyl]amino]benzoic acid methyl ester Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1O)CC=C)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCOC1=CC(=CC(=C1O)CC=C)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C23H22N2O5/c1-4-6-17-11-15(13-20(21(17)26)30-5-2)12-18(14-24)22(27)25-19-9-7-16(8-10-19)23(28)29-3/h4,7-13,26H,1,5-6H2,2-3H3,(H,25,27)/b18-12+