3-(3-chloranyl-5-methoxy-4-octoxy-phenyl)-2-cyano-N-(3-methylphenyl)prop-2-enamide

Systemtic Name: 3-(3-chloranyl-5-methoxy-4-octoxy-phenyl)-2-cyano-N-(3-methylphenyl)prop-2-enamide Openeye Name: 3-(3-chloro-5-methoxy-4-octoxy-phenyl)-2-cyano-N-(m-tolyl)prop-2-enamide CAS Name: 3-(3-chloro-5-methoxy-4-octoxyphenyl)-2-cyano-N-(3-methylphenyl)-2-propenamide IUPAC Name: 3-(3-chloro-5-methoxy-4-octoxyphenyl)-2-cyano-N-(3-methylphenyl)prop-2-enamide Traditional Name: 3-(3-chloro-5-methoxy-4-octoxy-phenyl)-2-cyano-N-(m-tolyl)acrylamide Formula: C26H31ClN2O3 MolecularWeight: 454.98894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1Cl)C=C(C#N)C(=O)NC2=CC=CC(=C2)C)OC

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1Cl)C=C(C#N)C(=O)NC2=CC=CC(=C2)C)OC

InChI

InChI=1S/C26H31ClN2O3/c1-4-5-6-7-8-9-13-32-25-23(27)16-20(17-24(25)31-3)15-21(18-28)26(30)29-22-12-10-11-19(2)14-22/h10-12,14-17H,4-9,13H2,1-3H3,(H,29,30)