methyl 2-[[(E)-2-cyano-3-(4-octoxyphenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: methyl 2-[[(E)-2-cyano-3-(4-octoxyphenyl)prop-2-enoyl]amino]benzoate Openeye Name: methyl 2-[[(E)-2-cyano-3-(4-octoxyphenyl)prop-2-enoyl]amino]benzoate CAS Name: 2-[[(E)-2-cyano-3-(4-octoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-(4-octoxyphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 2-[[(E)-2-cyano-3-(4-octoxyphenyl)acryloyl]amino]benzoic acid methyl ester Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C26H30N2O4/c1-3-4-5-6-7-10-17-32-22-15-13-20(14-16-22)18-21(19-27)25(29)28-24-12-9-8-11-23(24)26(30)31-2/h8-9,11-16,18H,3-7,10,17H2,1-2H3,(H,28,29)/b21-18+