methyl 4-[[2-cyano-3-(3-ethoxy-4-octoxy-phenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: methyl 4-[[2-cyano-3-(3-ethoxy-4-octoxy-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: methyl 4-[[2-cyano-3-(3-ethoxy-4-octoxy-phenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[2-cyano-3-(3-ethoxy-4-octoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-cyano-3-(3-ethoxy-4-octoxyphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[2-cyano-3-(3-ethoxy-4-octoxy-phenyl)acryloyl]amino]benzoic acid methyl ester Formula: C28H34N2O5 MolecularWeight: 478.57996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)OC)OCC

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)OC)OCC

InChI

InChI=1S/C28H34N2O5/c1-4-6-7-8-9-10-17-35-25-16-11-21(19-26(25)34-5-2)18-23(20-29)27(31)30-24-14-12-22(13-15-24)28(32)33-3/h11-16,18-19H,4-10,17H2,1-3H3,(H,30,31)